4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide

C14H15ClN2O4S2 — CID 17414308

IUPAC4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeyIPPUTOHDQOYDIL-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.81
Rot. Bonds5

About 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide

4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide (PubChem CID 17414308) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide
PubChem CID17414308
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeyIPPUTOHDQOYDIL-UHFFFAOYSA-N
XLogP1.81
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide 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

N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
N4-Benzyl-N1-[(4-chlorophenyl)methyl]-N1-cyclopentylbenzene-1,4-disulfonamide
CID 1176971
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzenesulfonamide
CID 52149645
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
4-[({[(4-Chlorobenzyl)amino]carbonothioyl}amino)methyl]benzenesulfonamide
CID 2208056
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
1-(4-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1148148
1-(4-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 986205
4-({[(4-Chlorobenzyl)sulfonyl]amino}methyl)benzenesulfonamide
CID 2974096
N-(4-chlorobenzyl)-4-(methylthio)benzenesulfonamide
CID 973513

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide (CID 17414308) is 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide is CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide?
The InChIKey is IPPUTOHDQOYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide?
4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide has a molecular weight of 374.87 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 17414308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).