N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide

C16H17N3O2S — CID 110869231

IUPACN-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-11-4-7-16(12(2)8-11)22(20,21)19(3)13-5-6-14-15(9-13)18-10-17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyGXOHBCRBFFKVOJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.00
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide

N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide (PubChem CID 110869231) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
PubChem CID110869231
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O2S/c1-11-4-7-16(12(2)8-11)22(20,21)19(3)13-5-6-14-15(9-13)18-10-17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyGXOHBCRBFFKVOJ-UHFFFAOYSA-N
XLogP3.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869539
N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
CID 110869267
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110869241
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110752738
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110869442
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
dibromolead;6-methyl-1H-benzimidazole
CID 175410470
N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869565
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 110866861

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide (CID 110869231) is N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)c(C)c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide?
The InChIKey is GXOHBCRBFFKVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-4-7-16(12(2)8-11)22(20,21)19(3)13-5-6-14-15(9-13)18-10-17-14/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide?
N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 110869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).