N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide

C16H15ClN4O3S — CID 108573390

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15ClN4O3S/c17-12-2-4-13(5-3-12)25(23,24)21-8-7-18-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10,21H,7-8H2,(H,18,22)(H,19,20)
InChIKeyHZTFVIDICQUJKX-UHFFFAOYSA-N
MW378.84 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 108573390) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID108573390
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15ClN4O3S/c17-12-2-4-13(5-3-12)25(23,24)21-8-7-18-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10,21H,7-8H2,(H,18,22)(H,19,20)
InChIKeyHZTFVIDICQUJKX-UHFFFAOYSA-N
XLogP1.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide (CID 108573390) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HZTFVIDICQUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-12-2-4-13(5-3-12)25(23,24)21-8-7-18-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10,21H,7-8H2,(H,18,22)(H,19,20).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108573390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).