N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide

C15H13ClN2O3S — CID 10246436

IUPACN-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3
InChIKeyUEIFSFBNRBJSCK-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide

N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide (PubChem CID 10246436) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
PubChem CID10246436
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3
InChIKeyUEIFSFBNRBJSCK-UHFFFAOYSA-N
XLogP3.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 22228535
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
CID 67079891

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide (CID 10246436) is N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The InChIKey is UEIFSFBNRBJSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10246436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).