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

C14H15ClN2O2S — CID 2489123

IUPAC3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-17(2)13-8-6-12(7-9-13)16-20(18,19)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3
InChIKeyQVMKPUKWXFLZJO-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.21
Rot. Bonds4

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

3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 2489123) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID2489123
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-17(2)13-8-6-12(7-9-13)16-20(18,19)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3
InChIKeyQVMKPUKWXFLZJO-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (CID 2489123) is 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is QVMKPUKWXFLZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-17(2)13-8-6-12(7-9-13)16-20(18,19)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3.
What are the key properties of 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 2489123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).