N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide

C16H15N3O2S — CID 3768573

IUPACN-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-13-3-2-4-16(11-13)22(20,21)18-14-5-7-15(8-6-14)19-10-9-17-12-19/h2-12,18H,1H3
InChIKeyYGFFNZIUJBYXFM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.98
Rot. Bonds4

About N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide

N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide (PubChem CID 3768573) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
PubChem CID3768573
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-13-3-2-4-16(11-13)22(20,21)18-14-5-7-15(8-6-14)19-10-9-17-12-19/h2-12,18H,1H3
InChIKeyYGFFNZIUJBYXFM-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide (CID 3768573) is N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is YGFFNZIUJBYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-13-3-2-4-16(11-13)22(20,21)18-14-5-7-15(8-6-14)19-10-9-17-12-19/h2-12,18H,1H3.
What are the key properties of N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide?
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 3768573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).