4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide

C15H17ClN2O2S — CID 112979886

IUPAC4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11(2)17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-11,17-18H,1-2H3
InChIKeyQLSVKGJEFREYHR-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide

4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide (PubChem CID 112979886) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
PubChem CID112979886
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11(2)17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-11,17-18H,1-2H3
InChIKeyQLSVKGJEFREYHR-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide (CID 112979886) is 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide is CC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
The InChIKey is QLSVKGJEFREYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(2)17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-11,17-18H,1-2H3.
What are the key properties of 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide?
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).