3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide

C20H27N3O2S — CID 121334957

IUPAC3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H27N3O2S/c1-21-26(24,25)18-12-13-19(23-17-10-6-3-7-11-17)20(14-18)22-15-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17,21-23H,3,6-7,10-11,15H2,1H3
InChIKeyFCTAJURTTSSINS-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.95
Rot. Bonds7

About 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide

3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide (PubChem CID 121334957) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide
PubChem CID121334957
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H27N3O2S/c1-21-26(24,25)18-12-13-19(23-17-10-6-3-7-11-17)20(14-18)22-15-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17,21-23H,3,6-7,10-11,15H2,1H3
InChIKeyFCTAJURTTSSINS-UHFFFAOYSA-N
XLogP3.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide (CID 121334957) is 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
The InChIKey is FCTAJURTTSSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-21-26(24,25)18-12-13-19(23-17-10-6-3-7-11-17)20(14-18)22-15-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17,21-23H,3,6-7,10-11,15H2,1H3.
What are the key properties of 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide?
3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-(cyclohexylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 121334957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).