N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide

C16H15N3O2S — CID 84512955

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-12-3-2-4-15(9-12)22(20,21)19-14-7-5-13(6-8-14)16-10-17-11-18-16/h2-11,19H,1H3,(H,17,18)
InChIKeyQLDYCJPWJWMKHH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide

N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 84512955) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
PubChem CID84512955
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-12-3-2-4-15(9-12)22(20,21)19-14-7-5-13(6-8-14)16-10-17-11-18-16/h2-11,19H,1H3,(H,17,18)
InChIKeyQLDYCJPWJWMKHH-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 84512971
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110668490
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N-[4-(1H-imidazol-5-yl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275740
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110668488
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide (CID 84512955) is N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is QLDYCJPWJWMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-3-2-4-15(9-12)22(20,21)19-14-7-5-13(6-8-14)16-10-17-11-18-16/h2-11,19H,1H3,(H,17,18).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide?
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 84512955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).