3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide

C15H13ClN2O2S — CID 169029479

IUPAC3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c16-13-2-1-3-14(9-13)21(19,20)18-10-11-4-5-12-6-7-17-15(12)8-11/h1-9,17-18H,10H2
InChIKeyODTMWVZEQDBLGY-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.30
Rot. Bonds4

About 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide

3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide (PubChem CID 169029479) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
PubChem CID169029479
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c16-13-2-1-3-14(9-13)21(19,20)18-10-11-4-5-12-6-7-17-15(12)8-11/h1-9,17-18H,10H2
InChIKeyODTMWVZEQDBLGY-UHFFFAOYSA-N
XLogP3.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-(1H-indol-5-ylmethyl)pyridine-3-sulfonamide
CID 169029432
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
N-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629419
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide (CID 169029479) is 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide?
The InChIKey is ODTMWVZEQDBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-13-2-1-3-14(9-13)21(19,20)18-10-11-4-5-12-6-7-17-15(12)8-11/h1-9,17-18H,10H2.
What are the key properties of 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide?
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 169029479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).