N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide

C10H15ClN2O2S — CID 119050694

IUPACN-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)N)cc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyVOMWSNCMSZLAPC-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.27
Rot. Bonds4

About N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide

N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide (PubChem CID 119050694) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide
PubChem CID119050694
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)N)cc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyVOMWSNCMSZLAPC-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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide (CID 119050694) is N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)N)cc1Cl.
What is the InChIKey of N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide?
The InChIKey is VOMWSNCMSZLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide?
N-(2-aminopropyl)-3-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-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 119050694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).