5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 114452196

IUPAC5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NCc2cc(F)cc(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-3-13(7-14(9)21(17,19)20)18-8-10-4-11(15)6-12(16)5-10/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeySOAPXFPAQFRAQT-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

About 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide

5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide (PubChem CID 114452196) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
PubChem CID114452196
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NCc2cc(F)cc(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-3-13(7-14(9)21(17,19)20)18-8-10-4-11(15)6-12(16)5-10/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeySOAPXFPAQFRAQT-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 43312702
2-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]benzoic acid
CID 114452545
N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
CID 114452478
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
CID 114452658
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
methyl 3-[(3-chloro-5-fluorophenyl)methylamino]-4-methylbenzoate
CID 114452355
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114452668
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 114452169
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452683

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide (CID 114452196) is 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide is Cc1ccc(NCc2cc(F)cc(Cl)c2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The InChIKey is SOAPXFPAQFRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-2-3-13(7-14(9)21(17,19)20)18-8-10-4-11(15)6-12(16)5-10/h2-7,18H,8H2,1H3,(H2,17,19,20).
What are the key properties of 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide?
5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 114452196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).