3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 28970046

IUPAC3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-13(15)6-12(7-14(9)17)21(19,20)18-8-10-3-2-4-11(16)5-10/h2-7,18H,8,17H2,1H3
InChIKeyUGDBSRGVGDOBOB-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.85
Rot. Bonds4

About 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide

3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 28970046) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID28970046
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-13(15)6-12(7-14(9)17)21(19,20)18-8-10-3-2-4-11(16)5-10/h2-7,18H,8,17H2,1H3
InChIKeyUGDBSRGVGDOBOB-UHFFFAOYSA-N
XLogP2.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
3',4-Dichloro-2'-methylbenzenesulfonanilide
CID 295195
2,5-dichloro-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 986647
3-amino-4-chloro-N-(3-chloro-4-methylphenyl)benzene-1-sulfonamide
CID 3843782
Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
CID 80806
N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 241733
N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 295160
3-chloro-4-fluoro-N-(m-tolyl)benzenesulfonamide
CID 890373
3-amino-N-(4-chlorophenyl)-4-methylbenzene-1-sulfonamide
CID 3732253
3-amino-N-(3-chlorophenyl)-4-methylbenzene-1-sulfonamide
CID 4982585
Benzenesulfonic acid, 3-amino-5-chloro-4-ethyl-
CID 105973
5-amino-N-(3-chlorophenyl)-2-methylbenzene-1-sulfonamide
CID 3574568

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 28970046) is 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCc2cccc(F)c2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is UGDBSRGVGDOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-13(15)6-12(7-14(9)17)21(19,20)18-8-10-3-2-4-11(16)5-10/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 28970046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).