4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide

C12H14ClN3O2S — CID 64519782

IUPAC4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9-7-10(13)3-4-11(9)19(17,18)16(2)8-12-14-5-6-15-12/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyDLDPWZBQLPYDGW-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.19
Rot. Bonds4

About 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide

4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 64519782) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID64519782
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9-7-10(13)3-4-11(9)19(17,18)16(2)8-12-14-5-6-15-12/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyDLDPWZBQLPYDGW-UHFFFAOYSA-N
XLogP2.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide (CID 64519782) is 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is DLDPWZBQLPYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9-7-10(13)3-4-11(9)19(17,18)16(2)8-12-14-5-6-15-12/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide?
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 64519782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).