4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H14ClN5O2S2 — CID 87145959

IUPAC4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClN5O2S2/c1-23-15-7-2-11(18)10-14(15)21-16(23)20-12-3-5-13(6-4-12)27(24,25)22-17-19-8-9-26-17/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyAXHJLRSFFLTZDO-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.23
Rot. Bonds5

About 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87145959) has the molecular formula C17H14ClN5O2S2 and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87145959
Molecular FormulaC17H14ClN5O2S2
Molecular Weight419.92 g/mol
Exact Mass419.03
IUPAC Name4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClN5O2S2/c1-23-15-7-2-11(18)10-14(15)21-16(23)20-12-3-5-13(6-4-12)27(24,25)22-17-19-8-9-26-17/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyAXHJLRSFFLTZDO-UHFFFAOYSA-N
XLogP4.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chloro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544020
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 22693234
4-[[(4-chloro-1,5-dimethylindol-2-yl)-hydroxymethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 130420745
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-[[1-tert-butyl-3-[(4-chlorophenyl)methyl]pyrazol-5-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25204101
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
4-[[4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145420
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87145959) is 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cn1c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AXHJLRSFFLTZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S2/c1-23-15-7-2-11(18)10-14(15)21-16(23)20-12-3-5-13(6-4-12)27(24,25)22-17-19-8-9-26-17/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 419.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87145959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).