N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide

C10H15ClN2O2S — CID 63731915

IUPACN-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(C)N
InChIInChI=1S/C10H15ClN2O2S/c1-7(12)6-13-16(14,15)10-5-3-4-9(11)8(10)2/h3-5,7,13H,6,12H2,1-2H3
InChIKeyXGQSKCRCJXJJPX-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.27
Rot. Bonds4

About N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide

N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide (PubChem CID 63731915) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
PubChem CID63731915
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(C)N
InChIInChI=1S/C10H15ClN2O2S/c1-7(12)6-13-16(14,15)10-5-3-4-9(11)8(10)2/h3-5,7,13H,6,12H2,1-2H3
InChIKeyXGQSKCRCJXJJPX-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
CID 43606378
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 131702588
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide (CID 63731915) is N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is XGQSKCRCJXJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7(12)6-13-16(14,15)10-5-3-4-9(11)8(10)2/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide?
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 63731915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).