4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide

C10H13ClF2N2O2S — CID 114141795

IUPAC4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H13ClF2N2O2S/c11-8-5-7(12)6-9(13)10(8)15-18(16,17)4-2-1-3-14/h5-6,15H,1-4,14H2
InChIKeyQLMQSAMTQMLNII-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.10
Rot. Bonds6

About 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide

4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide (PubChem CID 114141795) has the molecular formula C10H13ClF2N2O2S and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
PubChem CID114141795
Molecular FormulaC10H13ClF2N2O2S
Molecular Weight298.74 g/mol
Exact Mass298.04
IUPAC Name4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H13ClF2N2O2S/c11-8-5-7(12)6-9(13)10(8)15-18(16,17)4-2-1-3-14/h5-6,15H,1-4,14H2
InChIKeyQLMQSAMTQMLNII-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83079123
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide (CID 114141795) is 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide is NCCCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide?
The InChIKey is QLMQSAMTQMLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O2S/c11-8-5-7(12)6-9(13)10(8)15-18(16,17)4-2-1-3-14/h5-6,15H,1-4,14H2.
What are the key properties of 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide?
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide has a molecular weight of 298.74 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 114141795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).