4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide

C14H13Cl2NO3S2 — CID 57378758

IUPAC4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)=O)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S2/c1-9-7-11(4-5-12(9)16)22(19,20)17-13-8-10(15)3-6-14(13)21(2)18/h3-8,17H,1-2H3
InChIKeyUCIVDYJTSGJEGW-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide (PubChem CID 57378758) has the molecular formula C14H13Cl2NO3S2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
PubChem CID57378758
Molecular FormulaC14H13Cl2NO3S2
Molecular Weight378.30 g/mol
Exact Mass376.97
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)=O)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S2/c1-9-7-11(4-5-12(9)16)22(19,20)17-13-8-10(15)3-6-14(13)21(2)18/h3-8,17H,1-2H3
InChIKeyUCIVDYJTSGJEGW-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-(5-chloro-2-methylsulfinylphenyl)thiophene-2-sulfonamide
CID 67972821
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
CID 57378877
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67973663
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide (CID 57378758) is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)=O)ccc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is UCIVDYJTSGJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S2/c1-9-7-11(4-5-12(9)16)22(19,20)17-13-8-10(15)3-6-14(13)21(2)18/h3-8,17H,1-2H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 378.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 57378758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).