N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide

C11H15ClF2N2O3S — CID 115319094

IUPACN-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O3S/c1-16(6-2-5-15)20(17,18)8-3-4-10(9(12)7-8)19-11(13)14/h3-4,7,11H,2,5-6,15H2,1H3
InChIKeySZOAYEBWSRXBCT-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.91
Rot. Bonds7

About N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide

N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide (PubChem CID 115319094) has the molecular formula C11H15ClF2N2O3S and a molecular weight of 328.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
PubChem CID115319094
Molecular FormulaC11H15ClF2N2O3S
Molecular Weight328.77 g/mol
Exact Mass328.05
IUPAC NameN-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O3S/c1-16(6-2-5-15)20(17,18)8-3-4-10(9(12)7-8)19-11(13)14/h3-4,7,11H,2,5-6,15H2,1H3
InChIKeySZOAYEBWSRXBCT-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
N-(2-aminoethyl)-N-benzyl-3-chloro-4-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120584247
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide (CID 115319094) is N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide?
The InChIKey is SZOAYEBWSRXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O3S/c1-16(6-2-5-15)20(17,18)8-3-4-10(9(12)7-8)19-11(13)14/h3-4,7,11H,2,5-6,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide has a molecular weight of 328.77 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115319094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).