4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H13ClN2O2S2 — CID 43527986

IUPAC4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)12-3-2-10(14)6-11(12)13/h2-6,8H,7,14H2,1H3
InChIKeyPCTIVDWGTWQCBC-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43527986) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43527986
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)12-3-2-10(14)6-11(12)13/h2-6,8H,7,14H2,1H3
InChIKeyPCTIVDWGTWQCBC-UHFFFAOYSA-N
XLogP2.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43527986) is 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is PCTIVDWGTWQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)12-3-2-10(14)6-11(12)13/h2-6,8H,7,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43527986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).