6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide

C16H13N3O3S — CID 174969217

IUPAC6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide
SMILESCOc1cc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)ccc1C#N
InChIInChI=1S/C16H13N3O3S/c1-22-15-7-11(2-3-12(15)8-17)10-4-5-13-14(6-10)19-9-16(13)23(18,20)21/h2-7,9,19H,1H3,(H2,18,20,21)
InChIKeyCEIAGBMZYZZIBR-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.36
Rot. Bonds3

About 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide

6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide (PubChem CID 174969217) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide
PubChem CID174969217
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide
SMILESCOc1cc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)ccc1C#N
InChIInChI=1S/C16H13N3O3S/c1-22-15-7-11(2-3-12(15)8-17)10-4-5-13-14(6-10)19-9-16(13)23(18,20)21/h2-7,9,19H,1H3,(H2,18,20,21)
InChIKeyCEIAGBMZYZZIBR-UHFFFAOYSA-N
XLogP2.36
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-cyanophenyl)-1H-indole-3-sulfonamide
CID 174968242
4-cyano-2-methoxy-5-methylbenzenesulfonamide
CID 171026986
2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 67980772
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82118011
4-(tert-butylsulfinylmethyl)-2-methoxybenzonitrile
CID 106794411
4-cyano-3-methoxybenzoyl chloride
CID 45081742
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide (CID 174969217) is 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide is COc1cc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)ccc1C#N.
What is the InChIKey of 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide?
The InChIKey is CEIAGBMZYZZIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-15-7-11(2-3-12(15)8-17)10-4-5-13-14(6-10)19-9-16(13)23(18,20)21/h2-7,9,19H,1H3,(H2,18,20,21).
What are the key properties of 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide?
6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 174969217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).