1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide

C10H15ClN2O2S — CID 115379001

IUPAC1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCl)cc1N(C)C
InChIInChI=1S/C10H15ClN2O2S/c1-8-4-5-9(6-10(8)13(2)3)12-16(14,15)7-11/h4-6,12H,7H2,1-3H3
InChIKeyTZWHXZUYMXTMES-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.00
Rot. Bonds4

About 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide

1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide (PubChem CID 115379001) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
PubChem CID115379001
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCl)cc1N(C)C
InChIInChI=1S/C10H15ClN2O2S/c1-8-4-5-9(6-10(8)13(2)3)12-16(14,15)7-11/h4-6,12H,7H2,1-3H3
InChIKeyTZWHXZUYMXTMES-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
1-chloro-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 55244680
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide (CID 115379001) is 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(=O)(=O)CCl)cc1N(C)C.
What is the InChIKey of 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide?
The InChIKey is TZWHXZUYMXTMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8-4-5-9(6-10(8)13(2)3)12-16(14,15)7-11/h4-6,12H,7H2,1-3H3.
What are the key properties of 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide?
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 115379001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).