4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide

C10H11ClN4O2S — CID 62763734

IUPAC4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2cnc[nH]2)c1
InChIInChI=1S/C10H11ClN4O2S/c11-9-2-1-8(18(12,16)17)3-10(9)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2,(H,13,15)(H2,12,16,17)
InChIKeyOFKVIACUOMJHSK-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.32
Rot. Bonds4

About 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide

4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 62763734) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
PubChem CID62763734
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2cnc[nH]2)c1
InChIInChI=1S/C10H11ClN4O2S/c11-9-2-1-8(18(12,16)17)3-10(9)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2,(H,13,15)(H2,12,16,17)
InChIKeyOFKVIACUOMJHSK-UHFFFAOYSA-N
XLogP1.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1H-imidazol-5-ylmethyl)-4-iodoaniline
CID 62761938
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
4-chloro-3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 60983542
2-chloro-N-(1H-imidazol-5-ylmethyl)-4,5-dimethoxyaniline
CID 62762289
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
4-chloro-3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
CID 43745797
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778
4-chloro-3-[(5-fluoro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 107694382
4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide
CID 63668069
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide (CID 62763734) is 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NCc2cnc[nH]2)c1.
What is the InChIKey of 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is OFKVIACUOMJHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c11-9-2-1-8(18(12,16)17)3-10(9)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2,(H,13,15)(H2,12,16,17).
What are the key properties of 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide?
4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 62763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).