N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

C19H21N3O2S — CID 35764194

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-14(2)16-4-10-19(11-5-16)25(23,24)21-17-6-8-18(9-7-17)22-13-12-20-15(22)3/h4-14,21H,1-3H3
InChIKeyCORZWAAMMVSNLX-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 35764194) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID35764194
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-14(2)16-4-10-19(11-5-16)25(23,24)21-17-6-8-18(9-7-17)22-13-12-20-15(22)3/h4-14,21H,1-3H3
InChIKeyCORZWAAMMVSNLX-UHFFFAOYSA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 35764196
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
CID 10521634
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 35764194) is N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CORZWAAMMVSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(2)16-4-10-19(11-5-16)25(23,24)21-17-6-8-18(9-7-17)22-13-12-20-15(22)3/h4-14,21H,1-3H3.
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 35764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).