cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane

C60H54F4N8O13S2 — CID 159652511

IUPACcyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane
SMILESC.C.COc1ncccc1-c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.COc1ncccc1-c1c(C(=O)O)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.NS(=O)(=O)C1CC1
InChIInChI=1S/C29H22F2N4O6S.C26H17F2N3O5.C3H7NO2S.2CH4/c1-41-29-21(7-4-12-32-29)26-25-20-6-3-2-5-19(20)23(31)14-24(25)34(15-16-13-17(35(37)38)8-11-22(16)30)27(26)28(36)33-42(39,40)18-9-10-18;1-36-25-18(7-4-10-29-25)23-22-17-6-3-2-5-16(17)20(28)12-21(22)30(24(23)26(32)33)13-14-11-15(31(34)35)8-9-19(14)27;4-7(5,6)3-1-2-3;;/h2-8,11-14,18H,9-10,15H2,1H3,(H,33,36);2-12H,13H2,1H3,(H,32,33);3H,1-2H2,(H2,4,5,6);2*1H4
InChIKeyMRTFXBGQUJGYHP-UHFFFAOYSA-N
MW1235.26 g/mol
LogP11.83
Rot. Bonds15

About cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane

cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane (PubChem CID 159652511) has the molecular formula C60H54F4N8O13S2 and a molecular weight of 1235.26 g/mol. Its IUPAC name is cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane.

Molecular Properties

Compound Namecyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane
PubChem CID159652511
Molecular FormulaC60H54F4N8O13S2
Molecular Weight1235.26 g/mol
Exact Mass1234.32
IUPAC Namecyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane
SMILESC.C.COc1ncccc1-c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.COc1ncccc1-c1c(C(=O)O)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.NS(=O)(=O)C1CC1
InChIInChI=1S/C29H22F2N4O6S.C26H17F2N3O5.C3H7NO2S.2CH4/c1-41-29-21(7-4-12-32-29)26-25-20-6-3-2-5-19(20)23(31)14-24(25)34(15-16-13-17(35(37)38)8-11-22(16)30)27(26)28(36)33-42(39,40)18-9-10-18;1-36-25-18(7-4-10-29-25)23-22-17-6-3-2-5-16(17)20(28)12-21(22)30(24(23)26(32)33)13-14-11-15(31(34)35)8-9-19(14)27;4-7(5,6)3-1-2-3;;/h2-8,11-14,18H,9-10,15H2,1H3,(H,33,36);2-12H,13H2,1H3,(H,32,33);3H,1-2H2,(H2,4,5,6);2*1H4
InChIKeyMRTFXBGQUJGYHP-UHFFFAOYSA-N
XLogP11.83
TPSA301.08 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001235.26
LogP ≤ 511.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane?
The IUPAC name of cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane (CID 159652511) is cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane.
What is the SMILES notation for cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane?
The canonical SMILES for cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane is C.C.COc1ncccc1-c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.COc1ncccc1-c1c(C(=O)O)n(Cc2cc([N+](=O)[O-])ccc2F)c2cc(F)c3ccccc3c12.NS(=O)(=O)C1CC1.
What is the InChIKey of cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane?
The InChIKey is MRTFXBGQUJGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N4O6S.C26H17F2N3O5.C3H7NO2S.2CH4/c1-41-29-21(7-4-12-32-29)26-25-20-6-3-2-5-19(20)23(31)14-24(25)34(15-16-13-17(35(37)38)8-11-22(16)30)27(26)28(36)33-42(39,40)18-9-10-18;1-36-25-18(7-4-10-29-25)23-22-17-6-3-2-5-16(17)20(28)12-21(22)30(24(23)26(32)33)13-14-11-15(31(34)35)8-9-19(14)27;4-7(5,6)3-1-2-3;;/h2-8,11-14,18H,9-10,15H2,1H3,(H,33,36);2-12H,13H2,1H3,(H,32,33);3H,1-2H2,(H2,4,5,6);2*1H4.
What are the key properties of cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane?
cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane has a molecular weight of 1235.26 g/mol, XLogP of 11.83, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane is sourced from PubChem (CID 159652511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).