N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide

C13H12Cl2N2O2S — CID 112989678

IUPACN-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-20(18,19)17-10-7-5-9(6-8-10)16-13-11(14)3-2-4-12(13)15/h2-8,16-17H,1H3
InChIKeyGKMVBTGELBXUIQ-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.11
Rot. Bonds4

About N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide

N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide (PubChem CID 112989678) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
PubChem CID112989678
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-20(18,19)17-10-7-5-9(6-8-10)16-13-11(14)3-2-4-12(13)15/h2-8,16-17H,1H3
InChIKeyGKMVBTGELBXUIQ-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
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CID 2467720
N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide
CID 5231772
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
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N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
CID 90390717
CID 90390717
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
CID 174269520
1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide (CID 112989678) is N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide?
The InChIKey is GKMVBTGELBXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-20(18,19)17-10-7-5-9(6-8-10)16-13-11(14)3-2-4-12(13)15/h2-8,16-17H,1H3.
What are the key properties of N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide?
N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide is sourced from PubChem (CID 112989678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).