7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide

C21H18ClN5O3S — CID 108791702

IUPAC7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Cl)c4[nH]3)cc2)n1
InChIInChI=1S/C21H18ClN5O3S/c1-12-10-13(2)24-21(23-12)27-31(29,30)16-8-6-15(7-9-16)25-20(28)18-11-14-4-3-5-17(22)19(14)26-18/h3-11,26H,1-2H3,(H,25,28)(H,23,24,27)
InChIKeyJWCXWNAGMNAFFD-UHFFFAOYSA-N
MW455.93 g/mol
LogP4.28
Rot. Bonds5

About 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide

7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 108791702) has the molecular formula C21H18ClN5O3S and a molecular weight of 455.93 g/mol. Its IUPAC name is 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
PubChem CID108791702
Molecular FormulaC21H18ClN5O3S
Molecular Weight455.93 g/mol
Exact Mass455.08
IUPAC Name7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Cl)c4[nH]3)cc2)n1
InChIInChI=1S/C21H18ClN5O3S/c1-12-10-13(2)24-21(23-12)27-31(29,30)16-8-6-15(7-9-16)25-20(28)18-11-14-4-3-5-17(22)19(14)26-18/h3-11,26H,1-2H3,(H,25,28)(H,23,24,27)
InChIKeyJWCXWNAGMNAFFD-UHFFFAOYSA-N
XLogP4.28
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.93
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 108791703
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 92674544
(E)-3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 6012467
3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 4110930
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide (CID 108791702) is 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Cl)c4[nH]3)cc2)n1.
What is the InChIKey of 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is JWCXWNAGMNAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3S/c1-12-10-13(2)24-21(23-12)27-31(29,30)16-8-6-15(7-9-16)25-20(28)18-11-14-4-3-5-17(22)19(14)26-18/h3-11,26H,1-2H3,(H,25,28)(H,23,24,27).
What are the key properties of 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 455.93 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).