N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide

C16H17ClN4O4S2 — CID 141108026

IUPACN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H17ClN4O4S2/c1-10(2)27(24,25)21-15-8-5-12(9-14(15)19-16(21)18)20-26(22,23)13-6-3-11(17)4-7-13/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyKAXVQEPIEVJFQQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.66
Rot. Bonds5

About N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide

N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide (PubChem CID 141108026) has the molecular formula C16H17ClN4O4S2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
PubChem CID141108026
Molecular FormulaC16H17ClN4O4S2
Molecular Weight428.92 g/mol
Exact Mass428.04
IUPAC NameN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H17ClN4O4S2/c1-10(2)27(24,25)21-15-8-5-12(9-14(15)19-16(21)18)20-26(22,23)13-6-3-11(17)4-7-13/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyKAXVQEPIEVJFQQ-UHFFFAOYSA-N
XLogP2.66
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 141108251
4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide
CID 17218625
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
ethyl 2-amino-1-propan-2-ylsulfonylbenzimidazole-5-carboxylate
CID 12837956
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide (CID 141108026) is N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide is CC(C)S(=O)(=O)n1c(N)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide?
The InChIKey is KAXVQEPIEVJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4S2/c1-10(2)27(24,25)21-15-8-5-12(9-14(15)19-16(21)18)20-26(22,23)13-6-3-11(17)4-7-13/h3-10,20H,1-2H3,(H2,18,19).
What are the key properties of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide?
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide has a molecular weight of 428.92 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 141108026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).