3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide

C20H19ClN2O2S — CID 112983297

IUPAC3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2S/c21-17-7-4-8-20(15-17)26(24,25)23-19-11-9-18(10-12-19)22-14-13-16-5-2-1-3-6-16/h1-12,15,22-23H,13-14H2
InChIKeyGMGKETDKRGGRJS-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.80
Rot. Bonds7

About 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide

3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide (PubChem CID 112983297) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide
PubChem CID112983297
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2S/c21-17-7-4-8-20(15-17)26(24,25)23-19-11-9-18(10-12-19)22-14-13-16-5-2-1-3-6-16/h1-12,15,22-23H,13-14H2
InChIKeyGMGKETDKRGGRJS-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide (CID 112983297) is 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide?
The InChIKey is GMGKETDKRGGRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-17-7-4-8-20(15-17)26(24,25)23-19-11-9-18(10-12-19)22-14-13-16-5-2-1-3-6-16/h1-12,15,22-23H,13-14H2.
What are the key properties of 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide?
3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112983297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).