N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide

C16H18ClNO2S — CID 165345419

IUPACN-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-3-4-13-11-14(7-10-16(13)17)18-21(19,20)15-8-5-12(2)6-9-15/h5-11,18H,3-4H2,1-2H3
InChIKeyDBSMEIIYDOTPPQ-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.40
Rot. Bonds5

About N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide

N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide (PubChem CID 165345419) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
PubChem CID165345419
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-3-4-13-11-14(7-10-16(13)17)18-21(19,20)15-8-5-12(2)6-9-15/h5-11,18H,3-4H2,1-2H3
InChIKeyDBSMEIIYDOTPPQ-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 142633265
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 92673000
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide (CID 165345419) is N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DBSMEIIYDOTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-4-13-11-14(7-10-16(13)17)18-21(19,20)15-8-5-12(2)6-9-15/h5-11,18H,3-4H2,1-2H3.
What are the key properties of N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide?
N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 165345419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).