N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide

C17H20N4O2S — CID 110760465

IUPACN-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(N(C)C)cc3)ccc2n1C
InChIInChI=1S/C17H20N4O2S/c1-12-18-16-11-15(9-10-17(16)21(12)4)24(22,23)19-13-5-7-14(8-6-13)20(2)3/h5-11,19H,1-4H3
InChIKeyCHHNTLDFQRNOFA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide

N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760465) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760465
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(N(C)C)cc3)ccc2n1C
InChIInChI=1S/C17H20N4O2S/c1-12-18-16-11-15(9-10-17(16)21(12)4)24(22,23)19-13-5-7-14(8-6-13)20(2)3/h5-11,19H,1-4H3
InChIKeyCHHNTLDFQRNOFA-UHFFFAOYSA-N
XLogP2.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760391
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide (CID 110760465) is N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)Nc3ccc(N(C)C)cc3)ccc2n1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is CHHNTLDFQRNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-18-16-11-15(9-10-17(16)21(12)4)24(22,23)19-13-5-7-14(8-6-13)20(2)3/h5-11,19H,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide?
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).