5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide

C20H22ClN3O5S2 — CID 44592493

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)CS(N)(=O)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H22ClN3O5S2/c1-11-6-12(2)8-15(7-11)31(28,29)19-16-9-14(21)4-5-17(16)24-18(19)20(25)23-13(3)10-30(22,26)27/h4-9,13,24H,10H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyFKUXHXTYZGJMGB-UHFFFAOYSA-N
MW484.00 g/mol
LogP2.68
Rot. Bonds6

About 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 44592493) has the molecular formula C20H22ClN3O5S2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide
PubChem CID44592493
Molecular FormulaC20H22ClN3O5S2
Molecular Weight484.00 g/mol
Exact Mass483.07
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)CS(N)(=O)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H22ClN3O5S2/c1-11-6-12(2)8-15(7-11)31(28,29)19-16-9-14(21)4-5-17(16)24-18(19)20(25)23-13(3)10-30(22,26)27/h4-9,13,24H,10H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyFKUXHXTYZGJMGB-UHFFFAOYSA-N
XLogP2.68
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
5-Chloro-3-phenylthioindole-2-carboxamide
CID 189896
5-chloro-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-(2-hydroxyethyl)-1H-indole-2-carbohydrazide
CID 510647
3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
CID 510655
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 11948688
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
1H-Indole-2-carboxamide, 5-chloro-3-[(2-methylphenyl)sulfonyl]-
CID 506865
1H-Indole-2-carboxamide, 5-chloro-3-[(3-methylphenyl)sulfonyl]-
CID 506866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide (CID 44592493) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)CS(N)(=O)=O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is FKUXHXTYZGJMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S2/c1-11-6-12(2)8-15(7-11)31(28,29)19-16-9-14(21)4-5-17(16)24-18(19)20(25)23-13(3)10-30(22,26)27/h4-9,13,24H,10H2,1-3H3,(H,23,25)(H2,22,26,27).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-sulfamoylpropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 44592493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).