4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide

C20H23N3O2S — CID 35764196

IUPAC4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-21-13-14-23(15)18-9-7-17(8-10-18)22-26(24,25)19-11-5-16(6-12-19)20(2,3)4/h5-14,22H,1-4H3
InChIKeyYCSYKXKODBVBQZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.28
Rot. Bonds4

About 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide

4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35764196) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35764196
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-21-13-14-23(15)18-9-7-17(8-10-18)22-26(24,25)19-11-5-16(6-12-19)20(2,3)4/h5-14,22H,1-4H3
InChIKeyYCSYKXKODBVBQZ-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 35764194
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
CID 10521634
3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 35764196) is 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide is Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is YCSYKXKODBVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-21-13-14-23(15)18-9-7-17(8-10-18)22-26(24,25)19-11-5-16(6-12-19)20(2,3)4/h5-14,22H,1-4H3.
What are the key properties of 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35764196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).