N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide

C17H22ClNO3S — CID 141000423

IUPACN-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1cccc(Cl)c1)CCCc1ccco1
InChIInChI=1S/C17H22ClNO3S/c1-23(20,21)19(12-4-9-17-10-5-13-22-17)11-3-7-15-6-2-8-16(18)14-15/h2,5-6,8,10,13-14H,3-4,7,9,11-12H2,1H3
InChIKeyJKTNJSSJWZHNQN-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.76
Rot. Bonds9

About N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide

N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide (PubChem CID 141000423) has the molecular formula C17H22ClNO3S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide
PubChem CID141000423
Molecular FormulaC17H22ClNO3S
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC NameN-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1cccc(Cl)c1)CCCc1ccco1
InChIInChI=1S/C17H22ClNO3S/c1-23(20,21)19(12-4-9-17-10-5-13-22-17)11-3-7-15-6-2-8-16(18)14-15/h2,5-6,8,10,13-14H,3-4,7,9,11-12H2,1H3
InChIKeyJKTNJSSJWZHNQN-UHFFFAOYSA-N
XLogP3.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]phenyl]acetate
CID 54185984
methyl 5-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate
CID 70026592
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
CID 91833366
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141390
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide (CID 141000423) is N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide is CS(=O)(=O)N(CCCc1cccc(Cl)c1)CCCc1ccco1.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide?
The InChIKey is JKTNJSSJWZHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S/c1-23(20,21)19(12-4-9-17-10-5-13-22-17)11-3-7-15-6-2-8-16(18)14-15/h2,5-6,8,10,13-14H,3-4,7,9,11-12H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide?
N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide has a molecular weight of 355.89 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide is sourced from PubChem (CID 141000423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).