2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide

C18H19ClN2O2S — CID 10473865

IUPAC2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3
InChIKeySEVDQAFWIZJRNN-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.04
Rot. Bonds5

About 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide

2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide (PubChem CID 10473865) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide
PubChem CID10473865
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3
InChIKeySEVDQAFWIZJRNN-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 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide (CID 10473865) is 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide?
The InChIKey is SEVDQAFWIZJRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide?
2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-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 2-chloro-N-[1-(1H-indol-3-yl)propan-2-yl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 10473865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).