2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide

C19H22ClN3O2S — CID 44567357

IUPAC2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide
SMILESCCCCCCn1cnc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C19H22ClN3O2S/c1-2-3-4-7-12-23-14-21-17-13-15(10-11-18(17)23)22-26(24,25)19-9-6-5-8-16(19)20/h5-6,8-11,13-14,22H,2-4,7,12H2,1H3
InChIKeyZNCLZSKEXMROKZ-UHFFFAOYSA-N
MW391.92 g/mol
LogP5.07
Rot. Bonds8

About 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide

2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide (PubChem CID 44567357) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide
PubChem CID44567357
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide
SMILESCCCCCCn1cnc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C19H22ClN3O2S/c1-2-3-4-7-12-23-14-21-17-13-15(10-11-18(17)23)22-26(24,25)19-9-6-5-8-16(19)20/h5-6,8-11,13-14,22H,2-4,7,12H2,1H3
InChIKeyZNCLZSKEXMROKZ-UHFFFAOYSA-N
XLogP5.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.92
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
CID 110728981
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
bis(1-butylbenzimidazole);ethane
CID 142164287
1-butyl-5-fluorobenzimidazole
CID 134239298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide (CID 44567357) is 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide is CCCCCCn1cnc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is ZNCLZSKEXMROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-2-3-4-7-12-23-14-21-17-13-15(10-11-18(17)23)22-26(24,25)19-9-6-5-8-16(19)20/h5-6,8-11,13-14,22H,2-4,7,12H2,1H3.
What are the key properties of 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide?
2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 391.92 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 44567357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).