N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide

C16H16N2O3S — CID 110867586

IUPACN-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1C
InChIInChI=1S/C16H16N2O3S/c1-11-10-13(6-7-15(11)21-2)22(19,20)18-14-5-3-4-12-8-9-17-16(12)14/h3-10,17-18H,1-2H3
InChIKeyAUEKUGALKYHZRM-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.29
Rot. Bonds4

About N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 110867586) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID110867586
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1C
InChIInChI=1S/C16H16N2O3S/c1-11-10-13(6-7-15(11)21-2)22(19,20)18-14-5-3-4-12-8-9-17-16(12)14/h3-10,17-18H,1-2H3
InChIKeyAUEKUGALKYHZRM-UHFFFAOYSA-N
XLogP3.29
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 110867586) is N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1C.
What is the InChIKey of N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is AUEKUGALKYHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-10-13(6-7-15(11)21-2)22(19,20)18-14-5-3-4-12-8-9-17-16(12)14/h3-10,17-18H,1-2H3.
What are the key properties of N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 110867586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).