N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide

C14H14Cl2N2O2S — CID 43744735

IUPACN-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-21(19,20)18-14-7-6-11(8-13(14)16)17-9-10-4-2-3-5-12(10)15/h2-8,17-18H,9H2,1H3
InChIKeyPDMVUGCRPAAIMI-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.98
Rot. Bonds5

About N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide

N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 43744735) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID43744735
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-21(19,20)18-14-7-6-11(8-13(14)16)17-9-10-4-2-3-5-12(10)15/h2-8,17-18H,9H2,1H3
InChIKeyPDMVUGCRPAAIMI-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(thiophen-2-ylmethylamino)phenyl]methanesulfonamide
CID 43744756
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(5-ethylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 62346171
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 115762749
N-[2-chloro-4-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675322
N-[(2-chlorophenyl)methyl]-2,4-bis(methylsulfonyl)aniline
CID 51271206
N-[2-chloro-4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 60981950
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
CID 43682068
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide (CID 43744735) is N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is PDMVUGCRPAAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-21(19,20)18-14-7-6-11(8-13(14)16)17-9-10-4-2-3-5-12(10)15/h2-8,17-18H,9H2,1H3.
What are the key properties of N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43744735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).