5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H15Cl2NO2S2 — CID 82878993

IUPAC5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(CCl)cc(Cl)cc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H15Cl2NO2S2/c1-10-11(8-15)6-12(16)7-14(10)21(18,19)17(2)9-13-4-3-5-20-13/h3-7H,8-9H2,1-2H3
InChIKeyJMTOMULEPRSBCS-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.27
Rot. Bonds5

About 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 82878993) has the molecular formula C14H15Cl2NO2S2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID82878993
Molecular FormulaC14H15Cl2NO2S2
Molecular Weight364.32 g/mol
Exact Mass362.99
IUPAC Name5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(CCl)cc(Cl)cc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H15Cl2NO2S2/c1-10-11(8-15)6-12(16)7-14(10)21(18,19)17(2)9-13-4-3-5-20-13/h3-7H,8-9H2,1-2H3
InChIKeyJMTOMULEPRSBCS-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 82878993) is 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1c(CCl)cc(Cl)cc1S(=O)(=O)N(C)Cc1cccs1.
What is the InChIKey of 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JMTOMULEPRSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S2/c1-10-11(8-15)6-12(16)7-14(10)21(18,19)17(2)9-13-4-3-5-20-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 364.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(chloromethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 82878993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).