4-chloro-N-(1H-indol-7-yl)benzenesulfonamide

C14H11ClN2O2S — CID 10662474

IUPAC4-chloro-N-(1H-indol-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-4-6-12(7-5-11)20(18,19)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H
InChIKeyMYUCCHZHFNWTAO-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide

4-chloro-N-(1H-indol-7-yl)benzenesulfonamide (PubChem CID 10662474) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indol-7-yl)benzenesulfonamide
PubChem CID10662474
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name4-chloro-N-(1H-indol-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-4-6-12(7-5-11)20(18,19)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H
InChIKeyMYUCCHZHFNWTAO-UHFFFAOYSA-N
XLogP3.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide (CID 10662474) is 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide?
The InChIKey is MYUCCHZHFNWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-4-6-12(7-5-11)20(18,19)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H.
What are the key properties of 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide?
4-chloro-N-(1H-indol-7-yl)benzenesulfonamide has a molecular weight of 306.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10662474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).