1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine

C10H13ClFNO2S — CID 64673553

IUPAC1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO2S/c1-2-7(13)6-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7H,2,6,13H2,1H3
InChIKeyNAQRQZRQADHEIW-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine

1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine (PubChem CID 64673553) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
PubChem CID64673553
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO2S/c1-2-7(13)6-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7H,2,6,13H2,1H3
InChIKeyNAQRQZRQADHEIW-UHFFFAOYSA-N
XLogP1.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-chloro-4-fluorophenyl)sulfonylpropanoic acid
CID 65443416
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64675130
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-3,3,3-trifluoropropanenitrile
CID 103372439
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
methyl 3-amino-4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylbutanoate;hydrochloride
CID 171618095
4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
CID 64676319
1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
3-(3-chloro-4-fluorophenyl)sulfonylpentanenitrile
CID 64690807
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823
2-(3-chloro-4-fluorophenyl)sulfonylpropanenitrile
CID 55208345
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine (CID 64673553) is 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine is CCC(N)CS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine?
The InChIKey is NAQRQZRQADHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-2-7(13)6-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine?
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine has a molecular weight of 265.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine is sourced from PubChem (CID 64673553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).