4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide

C18H13Cl2NO3S — CID 5010043

IUPAC4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO3S/c19-13-1-7-16(8-2-13)24-17-9-5-15(6-10-17)21-25(22,23)18-11-3-14(20)4-12-18/h1-12,21H
InChIKeyRLDRCOGORYMTHX-UHFFFAOYSA-N
MW394.28 g/mol
LogP5.59
Rot. Bonds5

About 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide

4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide (PubChem CID 5010043) has the molecular formula C18H13Cl2NO3S and a molecular weight of 394.28 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
PubChem CID5010043
Molecular FormulaC18H13Cl2NO3S
Molecular Weight394.28 g/mol
Exact Mass393.00
IUPAC Name4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO3S/c19-13-1-7-16(8-2-13)24-17-9-5-15(6-10-17)21-25(22,23)18-11-3-14(20)4-12-18/h1-12,21H
InChIKeyRLDRCOGORYMTHX-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

N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid
CID 67043907
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chlorophenyl)-4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]benzenesulfonamide
CID 59039033
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide (CID 5010043) is 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide?
The InChIKey is RLDRCOGORYMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3S/c19-13-1-7-16(8-2-13)24-17-9-5-15(6-10-17)21-25(22,23)18-11-3-14(20)4-12-18/h1-12,21H.
What are the key properties of 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide?
4-chloro-N-[4-(4-chlorophenoxy)phenyl]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 4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 5010043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).