N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide

C16H16N2O4S — CID 110730767

IUPACN-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C16H16N2O4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-12-3-5-14-11(9-12)7-8-17-14/h3-10,17-18H,1-2H3
InChIKeyWOTYRXUWLHXHCC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.99
Rot. Bonds5

About N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide

N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 110730767) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
PubChem CID110730767
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C16H16N2O4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-12-3-5-14-11(9-12)7-8-17-14/h3-10,17-18H,1-2H3
InChIKeyWOTYRXUWLHXHCC-UHFFFAOYSA-N
XLogP2.99
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
2,4-dimethoxy-N-(2-methylimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
CID 110734871

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide (CID 110730767) is N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c(OC)c1.
What is the InChIKey of N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WOTYRXUWLHXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-12-3-5-14-11(9-12)7-8-17-14/h3-10,17-18H,1-2H3.
What are the key properties of N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide?
N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110730767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).