3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide

C18H19ClN2O2S — CID 10090072

IUPAC3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12(10-14-11-20-17-8-4-3-6-15(14)17)21-24(22,23)18-9-5-7-16(19)13(18)2/h3-9,11-12,20-21H,10H2,1-2H3
InChIKeyBQBJLSNVBMZCLQ-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.04
Rot. Bonds5

About 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10090072) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide
PubChem CID10090072
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12(10-14-11-20-17-8-4-3-6-15(14)17)21-24(22,23)18-9-5-7-16(19)13(18)2/h3-9,11-12,20-21H,10H2,1-2H3
InChIKeyBQBJLSNVBMZCLQ-UHFFFAOYSA-N
XLogP4.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide (CID 10090072) is 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is BQBJLSNVBMZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12(10-14-11-20-17-8-4-3-6-15(14)17)21-24(22,23)18-9-5-7-16(19)13(18)2/h3-9,11-12,20-21H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10090072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).