N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide

C19H16ClNO3S — CID 3508637

IUPACN-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-14-6-2-5-9-19(14)24-15-10-12-16(13-11-15)25(22,23)21-18-8-4-3-7-17(18)20/h2-13,21H,1H3
InChIKeyCVWPTRLAZSWYCN-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.24
Rot. Bonds5

About N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide

N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide (PubChem CID 3508637) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
PubChem CID3508637
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC NameN-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-14-6-2-5-9-19(14)24-15-10-12-16(13-11-15)25(22,23)21-18-8-4-3-7-17(18)20/h2-13,21H,1H3
InChIKeyCVWPTRLAZSWYCN-UHFFFAOYSA-N
XLogP5.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
CID 26781676
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide (CID 3508637) is N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide?
The InChIKey is CVWPTRLAZSWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-14-6-2-5-9-19(14)24-15-10-12-16(13-11-15)25(22,23)21-18-8-4-3-7-17(18)20/h2-13,21H,1H3.
What are the key properties of N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide?
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 3508637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).