N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide

C15H17ClN2O2S — CID 14720281

IUPACN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(2)21(19,20)18(11-13-4-3-9-17-10-13)15-7-5-14(16)6-8-15/h3-10,12H,11H2,1-2H3
InChIKeyCOHQDPZDTIVLNI-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.48
Rot. Bonds5

About N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide (PubChem CID 14720281) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
PubChem CID14720281
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(2)21(19,20)18(11-13-4-3-9-17-10-13)15-7-5-14(16)6-8-15/h3-10,12H,11H2,1-2H3
InChIKeyCOHQDPZDTIVLNI-UHFFFAOYSA-N
XLogP3.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 60539973
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide (CID 14720281) is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is COHQDPZDTIVLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-12(2)21(19,20)18(11-13-4-3-9-17-10-13)15-7-5-14(16)6-8-15/h3-10,12H,11H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide?
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 14720281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).