methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid

C13H12N4O4S2 — CID 57371868

IUPACmethyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid
SMILESCN(C(=O)O)c1nc2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C13H12N4O4S2/c1-17(13(18)19)12-14-9-5-4-8(7-10(9)15-12)16-23(20,21)11-3-2-6-22-11/h2-7,16H,1H3,(H,14,15)(H,18,19)
InChIKeyHSLIYBUUGLWDLX-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.54
Rot. Bonds4

About methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid

methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 57371868) has the molecular formula C13H12N4O4S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid
PubChem CID57371868
Molecular FormulaC13H12N4O4S2
Molecular Weight352.40 g/mol
Exact Mass352.03
IUPAC Namemethyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid
SMILESCN(C(=O)O)c1nc2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C13H12N4O4S2/c1-17(13(18)19)12-14-9-5-4-8(7-10(9)15-12)16-23(20,21)11-3-2-6-22-11/h2-7,16H,1H3,(H,14,15)(H,18,19)
InChIKeyHSLIYBUUGLWDLX-UHFFFAOYSA-N
XLogP2.54
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
CID 71229061
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
CID 155537094
2-[bis(2-methylpropyl)amino]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292162
N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide
CID 47076113
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544

Frequently Asked Questions

What is the IUPAC name of methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid (CID 57371868) is methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid is CN(C(=O)O)c1nc2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1.
What is the InChIKey of methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is HSLIYBUUGLWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S2/c1-17(13(18)19)12-14-9-5-4-8(7-10(9)15-12)16-23(20,21)11-3-2-6-22-11/h2-7,16H,1H3,(H,14,15)(H,18,19).
What are the key properties of methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid?
methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 352.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 57371868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).