N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide

C10H15ClN2O2S — CID 63732403

IUPACN-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CN)c(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyWMTHPYZRXZPXEV-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.27
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide (PubChem CID 63732403) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
PubChem CID63732403
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CN)c(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyWMTHPYZRXZPXEV-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-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
CID 80998367
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide (CID 63732403) is N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CN)c(Cl)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is WMTHPYZRXZPXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2-chloro-4-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-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 63732403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).