N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide

C93H88Cl3N9O12S4 — CID 158538773

IUPACN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12
InChIInChI=1S/C32H30ClN3O4S.C31H29ClN2O4S2.C30H29ClN4O4S/c1-20-18-23(19-21(2)29(20)33)40-17-9-15-28-27-13-7-12-26(25-14-8-16-34-22(25)3)30(27)35-31(28)32(37)36-41(38,39)24-10-5-4-6-11-24;1-19-14-16-39-30(19)26-12-7-11-24-25(13-8-15-38-22-17-20(2)27(32)21(3)18-22)29(33-28(24)26)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)39-16-8-13-24-23-11-7-12-25(26-14-15-32-35(26)3)28(23)33-29(24)30(36)34-40(37,38)22-9-5-4-6-10-22/h4-8,10-14,16,18-19,35H,9,15,17H2,1-3H3,(H,36,37);4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);4-7,9-12,14-15,17-18,33H,8,13,16H2,1-3H3,(H,34,36)
InChIKeyHOGNFDCMJLBMEA-UHFFFAOYSA-N
MW1758.40 g/mol
LogP20.51
Rot. Bonds27

About N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide

N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide (PubChem CID 158538773) has the molecular formula C93H88Cl3N9O12S4 and a molecular weight of 1758.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide
PubChem CID158538773
Molecular FormulaC93H88Cl3N9O12S4
Molecular Weight1758.40 g/mol
Exact Mass1755.45
IUPAC NameN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12
InChIInChI=1S/C32H30ClN3O4S.C31H29ClN2O4S2.C30H29ClN4O4S/c1-20-18-23(19-21(2)29(20)33)40-17-9-15-28-27-13-7-12-26(25-14-8-16-34-22(25)3)30(27)35-31(28)32(37)36-41(38,39)24-10-5-4-6-11-24;1-19-14-16-39-30(19)26-12-7-11-24-25(13-8-15-38-22-17-20(2)27(32)21(3)18-22)29(33-28(24)26)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)39-16-8-13-24-23-11-7-12-25(26-14-15-32-35(26)3)28(23)33-29(24)30(36)34-40(37,38)22-9-5-4-6-10-22/h4-8,10-14,16,18-19,35H,9,15,17H2,1-3H3,(H,36,37);4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);4-7,9-12,14-15,17-18,33H,8,13,16H2,1-3H3,(H,34,36)
InChIKeyHOGNFDCMJLBMEA-UHFFFAOYSA-N
XLogP20.51
TPSA295.49 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.40
LogP ≤ 520.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide (CID 158538773) is N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide is Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12.
What is the InChIKey of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide?
The InChIKey is HOGNFDCMJLBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN3O4S.C31H29ClN2O4S2.C30H29ClN4O4S/c1-20-18-23(19-21(2)29(20)33)40-17-9-15-28-27-13-7-12-26(25-14-8-16-34-22(25)3)30(27)35-31(28)32(37)36-41(38,39)24-10-5-4-6-11-24;1-19-14-16-39-30(19)26-12-7-11-24-25(13-8-15-38-22-17-20(2)27(32)21(3)18-22)29(33-28(24)26)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)39-16-8-13-24-23-11-7-12-25(26-14-15-32-35(26)3)28(23)33-29(24)30(36)34-40(37,38)22-9-5-4-6-10-22/h4-8,10-14,16,18-19,35H,9,15,17H2,1-3H3,(H,36,37);4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);4-7,9-12,14-15,17-18,33H,8,13,16H2,1-3H3,(H,34,36).
What are the key properties of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide?
N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide has a molecular weight of 1758.40 g/mol, XLogP of 20.51, 27 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3-methylthiophen-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).