3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide

C10H13ClF2N2O3S — CID 106165807

IUPAC3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(F)(F)CO)cc1Cl
InChIInChI=1S/C10H13ClF2N2O3S/c1-6-8(11)2-7(3-9(6)14)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3
InChIKeyRGKZHOLSEKLLIG-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide (PubChem CID 106165807) has the molecular formula C10H13ClF2N2O3S and a molecular weight of 314.74 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide
PubChem CID106165807
Molecular FormulaC10H13ClF2N2O3S
Molecular Weight314.74 g/mol
Exact Mass314.03
IUPAC Name3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(F)(F)CO)cc1Cl
InChIInChI=1S/C10H13ClF2N2O3S/c1-6-8(11)2-7(3-9(6)14)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3
InChIKeyRGKZHOLSEKLLIG-UHFFFAOYSA-N
XLogP1.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide (CID 106165807) is 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCC(F)(F)CO)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is RGKZHOLSEKLLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O3S/c1-6-8(11)2-7(3-9(6)14)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 314.74 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106165807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).