2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide

C15H13ClN4O4S — CID 58344429

IUPAC2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)n2ccnc2)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C15H13ClN4O4S/c16-12-7-13(19-8-10-2-1-5-24-10)11(6-14(12)25(17,22)23)15(21)20-4-3-18-9-20/h1-7,9,19H,8H2,(H2,17,22,23)
InChIKeyCUSXPYXEOJJOGG-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.08
Rot. Bonds5

About 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide

2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide (PubChem CID 58344429) has the molecular formula C15H13ClN4O4S and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide
PubChem CID58344429
Molecular FormulaC15H13ClN4O4S
Molecular Weight380.81 g/mol
Exact Mass380.03
IUPAC Name2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)n2ccnc2)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C15H13ClN4O4S/c16-12-7-13(19-8-10-2-1-5-24-10)11(6-14(12)25(17,22)23)15(21)20-4-3-18-9-20/h1-7,9,19H,8H2,(H2,17,22,23)
InChIKeyCUSXPYXEOJJOGG-UHFFFAOYSA-N
XLogP2.08
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 68522905
CID 68522905
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
2-chloro-4-(furan-2-ylmethylamino)-5-[4-(4-methylpiperazin-1-yl)butanoyl]benzenesulfonamide;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;di(imidazol-1-yl)methanone;2-(4-methylpiperazin-1-yl)ethanamine
CID 159863102
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-2,6-diaminohexanoic acid
CID 18649645
4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
CID 66628217
S-[3-(dimethylamino)propyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate
CID 46853545
4-(furan-2-ylmethylamino)pyridine-3-sulfonamide
CID 171984499
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 162370895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide (CID 58344429) is 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)n2ccnc2)c(NCc2ccco2)cc1Cl.
What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide?
The InChIKey is CUSXPYXEOJJOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S/c16-12-7-13(19-8-10-2-1-5-24-10)11(6-14(12)25(17,22)23)15(21)20-4-3-18-9-20/h1-7,9,19H,8H2,(H2,17,22,23).
What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide?
2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide has a molecular weight of 380.81 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 58344429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).