6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide

C16H25ClN4O2S — CID 3087599

IUPAC6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H25ClN4O2S/c1-4-21(5-2)10-6-7-12(3)20-24(22,23)16-18-14-9-8-13(17)11-15(14)19-16/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyFDAUDXSXPZWFPF-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.01
Rot. Bonds9

About 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide

6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide (PubChem CID 3087599) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide
PubChem CID3087599
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC Name6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H25ClN4O2S/c1-4-21(5-2)10-6-7-12(3)20-24(22,23)16-18-14-9-8-13(17)11-15(14)19-16/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyFDAUDXSXPZWFPF-UHFFFAOYSA-N
XLogP3.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-2-methylbenzimidazole
CID 76063
6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
CID 351917
5-Chloro-2-guanidinobenzimidazole
CID 408159
6-Chloro-1H-benzimidazole-2-methanamine
CID 6484117
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 5138165
2-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 10064981
6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole
CID 56672434
6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide
CID 57392347
2-(5-Chloro-1H-benzimidazol-2-yl)ethanamine
CID 597261
(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride
CID 22013938
5,6-dichloro-N-isopropyl-1H-benzo[d]imidazol-2-amine
CID 22995418

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide (CID 3087599) is 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide?
The InChIKey is FDAUDXSXPZWFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2S/c1-4-21(5-2)10-6-7-12(3)20-24(22,23)16-18-14-9-8-13(17)11-15(14)19-16/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide?
6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide is sourced from PubChem (CID 3087599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).