4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide

C14H17ClFNO3S — CID 81451546

IUPAC4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NC(C1CC1)C1CC1)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C14H17ClFNO3S/c15-13-10(7-18)5-11(6-12(13)16)21(19,20)17-14(8-1-2-8)9-3-4-9/h5-6,8-9,14,17-18H,1-4,7H2
InChIKeyYSJZACWCJKYBIW-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.44
Rot. Bonds6

About 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide

4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 81451546) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
PubChem CID81451546
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NC(C1CC1)C1CC1)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C14H17ClFNO3S/c15-13-10(7-18)5-11(6-12(13)16)21(19,20)17-14(8-1-2-8)9-3-4-9/h5-6,8-9,14,17-18H,1-4,7H2
InChIKeyYSJZACWCJKYBIW-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81462040
4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81457911
4-chloro-3-fluoro-5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002093
[2-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 81451955
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
3-(aminomethyl)-4-chloro-5-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106032224
4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81451983
3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
CID 81456909
3-(aminomethyl)-4-chloro-5-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106028820
[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol
CID 81461813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide (CID 81451546) is 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide is O=S(=O)(NC(C1CC1)C1CC1)c1cc(F)c(Cl)c(CO)c1.
What is the InChIKey of 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is YSJZACWCJKYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c15-13-10(7-18)5-11(6-12(13)16)21(19,20)17-14(8-1-2-8)9-3-4-9/h5-6,8-9,14,17-18H,1-4,7H2.
What are the key properties of 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide?
4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 333.81 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 81451546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).