N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide

C15H14ClN3O4S2 — CID 10763492

IUPACN-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)c1
InChIInChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-10-4-2-5-11(8-10)25(22,23)19-14-7-3-6-12-13(16)9-17-15(12)14/h2-9,17-19H,1H3
InChIKeyPMGXRFWGKTVXGL-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.99
Rot. Bonds5

About N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide

N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide (PubChem CID 10763492) has the molecular formula C15H14ClN3O4S2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide
PubChem CID10763492
Molecular FormulaC15H14ClN3O4S2
Molecular Weight399.88 g/mol
Exact Mass399.01
IUPAC NameN-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)c1
InChIInChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-10-4-2-5-11(8-10)25(22,23)19-14-7-3-6-12-13(16)9-17-15(12)14/h2-9,17-19H,1H3
InChIKeyPMGXRFWGKTVXGL-UHFFFAOYSA-N
XLogP2.99
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Indisulam
CID 216468
n-(1h-Indol-7-yl)methanesulfonamide
CID 20231824
3-(3-chlorophenyl)sulfonyl-7-piperazin-1-yl-1H-indole
CID 10134086
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66803474
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11200511
3-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11384146
3-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11463428
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide (CID 10763492) is N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)c1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide?
The InChIKey is PMGXRFWGKTVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-10-4-2-5-11(8-10)25(22,23)19-14-7-3-6-12-13(16)9-17-15(12)14/h2-9,17-19H,1H3.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide?
N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide has a molecular weight of 399.88 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-3-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 10763492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).