2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

C12H13ClN2O2S2 — CID 55029578

IUPAC2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyCJZRBPFTHWNCMN-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.77
Rot. Bonds4

About 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 55029578) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID55029578
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyCJZRBPFTHWNCMN-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 103077441
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 47319256
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
3-fluoro-4-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 79177879

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 55029578) is 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1.
What is the InChIKey of 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is CJZRBPFTHWNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3.
What are the key properties of 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55029578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).