3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide

C13H19ClN2O2S — CID 107091304

IUPAC3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CNC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-2-7-16-19(17,18)12-6-3-10(13(14)8-12)9-15-11-4-5-11/h3,6,8,11,15-16H,2,4-5,7,9H2,1H3
InChIKeyKOYYRYJLPSGNMH-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.28
Rot. Bonds7

About 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide

3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide (PubChem CID 107091304) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
PubChem CID107091304
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CNC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-2-7-16-19(17,18)12-6-3-10(13(14)8-12)9-15-11-4-5-11/h3,6,8,11,15-16H,2,4-5,7,9H2,1H3
InChIKeyKOYYRYJLPSGNMH-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(cyclopropylamino)methyl]-N-pentylbenzenesulfonamide
CID 106058257
3-chloro-4-[(cyclopropylamino)methyl]-N,N-diethylbenzenesulfonamide
CID 107091147
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091138
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
3-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 115409081
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide (CID 107091304) is 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CNC2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide?
The InChIKey is KOYYRYJLPSGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-7-16-19(17,18)12-6-3-10(13(14)8-12)9-15-11-4-5-11/h3,6,8,11,15-16H,2,4-5,7,9H2,1H3.
What are the key properties of 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide?
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 107091304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).