2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C12H13ClN2O3S — CID 54888480

IUPAC2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H13ClN2O3S/c1-15(8-10-3-2-6-18-10)19(16,17)12-7-9(13)4-5-11(12)14/h2-7H,8,14H2,1H3
InChIKeyODBHYAUIMCMKAY-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.34
Rot. Bonds4

About 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 54888480) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID54888480
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H13ClN2O3S/c1-15(8-10-3-2-6-18-10)19(16,17)12-7-9(13)4-5-11(12)14/h2-7H,8,14H2,1H3
InChIKeyODBHYAUIMCMKAY-UHFFFAOYSA-N
XLogP2.34
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 105116996
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 54888480) is 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is ODBHYAUIMCMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-15(8-10-3-2-6-18-10)19(16,17)12-7-9(13)4-5-11(12)14/h2-7H,8,14H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54888480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).