N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide

C20H15ClN2O2S — CID 69471636

IUPACN-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3ccccc3[nH]2)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-17-11-10-15(19-12-14-6-4-5-9-18(14)22-19)13-20(17)23-26(24,25)16-7-2-1-3-8-16/h1-13,22-23H
InChIKeyWUXBNTJWJPJZNW-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.29
Rot. Bonds4

About N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide

N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide (PubChem CID 69471636) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
PubChem CID69471636
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3ccccc3[nH]2)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-17-11-10-15(19-12-14-6-4-5-9-18(14)22-19)13-20(17)23-26(24,25)16-7-2-1-3-8-16/h1-13,22-23H
InChIKeyWUXBNTJWJPJZNW-UHFFFAOYSA-N
XLogP5.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-[2-(1H-indol-2-yl)phenyl]naphthalene-2-sulfonamide
CID 3532370
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 46331635
2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
CID 70342342
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid
CID 174692531
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
4-(1H-indol-2-yl)phenol
CID 11287260

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide (CID 69471636) is N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cc3ccccc3[nH]2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is WUXBNTJWJPJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-17-11-10-15(19-12-14-6-4-5-9-18(14)22-19)13-20(17)23-26(24,25)16-7-2-1-3-8-16/h1-13,22-23H.
What are the key properties of N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide?
N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 69471636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).