N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide

C19H17ClN2O2S — CID 112982611

IUPACN-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c20-16-8-6-15(7-9-16)14-21-17-10-12-18(13-11-17)22-25(23,24)19-4-2-1-3-5-19/h1-13,21-22H,14H2
InChIKeyXXJXVRYCVFIULB-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.75
Rot. Bonds6

About N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide

N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide (PubChem CID 112982611) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
PubChem CID112982611
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c20-16-8-6-15(7-9-16)14-21-17-10-12-18(13-11-17)22-25(23,24)19-4-2-1-3-5-19/h1-13,21-22H,14H2
InChIKeyXXJXVRYCVFIULB-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloroaniline chloride
CID 45109713
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide (CID 112982611) is N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide?
The InChIKey is XXJXVRYCVFIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-16-8-6-15(7-9-16)14-21-17-10-12-18(13-11-17)22-25(23,24)19-4-2-1-3-5-19/h1-13,21-22H,14H2.
What are the key properties of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide?
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide has a molecular weight of 372.88 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).