3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C16H18ClNO3S — CID 25044284

IUPAC3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO3S/c1-11-7-8-15(10-16(11)17)22(19,20)18-12(2)13-5-4-6-14(9-13)21-3/h4-10,12,18H,1-3H3
InChIKeyCQRUUMIHKJNGHM-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.70
Rot. Bonds5

About 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 25044284) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID25044284
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO3S/c1-11-7-8-15(10-16(11)17)22(19,20)18-12(2)13-5-4-6-14(9-13)21-3/h4-10,12,18H,1-3H3
InChIKeyCQRUUMIHKJNGHM-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560380
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207690
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 25044284) is 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CQRUUMIHKJNGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-11-7-8-15(10-16(11)17)22(19,20)18-12(2)13-5-4-6-14(9-13)21-3/h4-10,12,18H,1-3H3.
What are the key properties of 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25044284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).