3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide

C18H13Cl2NO3S — CID 21210578

IUPAC3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2NO3S/c19-17-11-10-16(12-18(17)20)25(22,23)21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-12,21H
InChIKeyFCOQDVHOIAKYNX-UHFFFAOYSA-N
MW394.28 g/mol
LogP5.59
Rot. Bonds5

About 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide

3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 21210578) has the molecular formula C18H13Cl2NO3S and a molecular weight of 394.28 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID21210578
Molecular FormulaC18H13Cl2NO3S
Molecular Weight394.28 g/mol
Exact Mass393.00
IUPAC Name3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2NO3S/c19-17-11-10-16(12-18(17)20)25(22,23)21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-12,21H
InChIKeyFCOQDVHOIAKYNX-UHFFFAOYSA-N
XLogP5.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide (CID 21210578) is 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is FCOQDVHOIAKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3S/c19-17-11-10-16(12-18(17)20)25(22,23)21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-12,21H.
What are the key properties of 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide?
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 21210578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).