N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide

C14H14ClNO2S — CID 69007007

IUPACN-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCl)c2ccccc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-12-7-9-14(10-8-12)19(17,18)16(11-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyJASGBRGJMHOPER-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.39
Rot. Bonds4

About N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide

N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 69007007) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID69007007
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCl)c2ccccc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-12-7-9-14(10-8-12)19(17,18)16(11-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyJASGBRGJMHOPER-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
CID 53313632
ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
CID 10598
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
(2S)-2-[chloromethyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 67737076

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide (CID 69007007) is N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCl)c2ccccc2)cc1.
What is the InChIKey of N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is JASGBRGJMHOPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-12-7-9-14(10-8-12)19(17,18)16(11-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide?
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 69007007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).