3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide

C18H23N3O2S — CID 121334944

IUPAC3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-20-24(22,23)16-10-11-17(21-15-8-9-15)18(12-16)19-13-14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3
InChIKeyNCOUCVQSPOHYEV-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.17
Rot. Bonds8

About 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide

3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide (PubChem CID 121334944) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
PubChem CID121334944
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-20-24(22,23)16-10-11-17(21-15-8-9-15)18(12-16)19-13-14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3
InChIKeyNCOUCVQSPOHYEV-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide (CID 121334944) is 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide?
The InChIKey is NCOUCVQSPOHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-20-24(22,23)16-10-11-17(21-15-8-9-15)18(12-16)19-13-14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3.
What are the key properties of 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide?
3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-(cyclopropylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 121334944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).