4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide

C16H18N2O2S — CID 61313949

IUPAC4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C16H18N2O2S/c17-21(19,20)15-10-8-14(9-11-15)18-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16,18H,6-7H2,(H2,17,19,20)
InChIKeyNJQQRBHPYZLMSQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.90
Rot. Bonds5

About 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide

4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide (PubChem CID 61313949) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
PubChem CID61313949
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C16H18N2O2S/c17-21(19,20)15-10-8-14(9-11-15)18-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16,18H,6-7H2,(H2,17,19,20)
InChIKeyNJQQRBHPYZLMSQ-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
N-[cyclopropyl(phenyl)methyl]-3-methylsulfonylaniline
CID 61313567
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
CID 63760437

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide (CID 61313949) is 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide?
The InChIKey is NJQQRBHPYZLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-21(19,20)15-10-8-14(9-11-15)18-16(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13,16,18H,6-7H2,(H2,17,19,20).
What are the key properties of 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide?
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 61313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).