4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide

C19H16ClNO3S — CID 3530960

IUPAC4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-14-6-2-4-8-18(14)21-25(22,23)16-12-10-15(11-13-16)24-19-9-5-3-7-17(19)20/h2-13,21H,1H3
InChIKeyCDTMSPQMZWCRDC-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.24
Rot. Bonds5

About 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide

4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 3530960) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
PubChem CID3530960
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-14-6-2-4-8-18(14)21-25(22,23)16-12-10-15(11-13-16)24-19-9-5-3-7-17(19)20/h2-13,21H,1H3
InChIKeyCDTMSPQMZWCRDC-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

N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
CID 26781676
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide (CID 3530960) is 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is CDTMSPQMZWCRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-14-6-2-4-8-18(14)21-25(22,23)16-12-10-15(11-13-16)24-19-9-5-3-7-17(19)20/h2-13,21H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide?
4-(2-chlorophenoxy)-N-(2-methylphenyl)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 4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3530960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).