4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide

C15H17ClN2O2S — CID 113098713

IUPAC4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)ccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-10-14(8-9-15(11)16)21(19,20)17-12-4-6-13(7-5-12)18(2)3/h4-10,17H,1-3H3
InChIKeyOJKRSGRJKDZLTC-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.52
Rot. Bonds4

About 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide

4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide (PubChem CID 113098713) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
PubChem CID113098713
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)ccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-10-14(8-9-15(11)16)21(19,20)17-12-4-6-13(7-5-12)18(2)3/h4-10,17H,1-3H3
InChIKeyOJKRSGRJKDZLTC-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide
CID 113094139
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide (CID 113098713) is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is OJKRSGRJKDZLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-10-14(8-9-15(11)16)21(19,20)17-12-4-6-13(7-5-12)18(2)3/h4-10,17H,1-3H3.
What are the key properties of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide?
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113098713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).