N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide

C19H15F2NO2S — CID 123352149

IUPACN-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CC1c1ccc(F)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15F2NO2S/c20-17-8-6-14(10-18(17)21)16-11-19(16)22-25(23,24)15-7-5-12-3-1-2-4-13(12)9-15/h1-10,16,19,22H,11H2
InChIKeyPDUNSERIYYKNDK-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide

N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide (PubChem CID 123352149) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide
PubChem CID123352149
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CC1c1ccc(F)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15F2NO2S/c20-17-8-6-14(10-18(17)21)16-11-19(16)22-25(23,24)15-7-5-12-3-1-2-4-13(12)9-15/h1-10,16,19,22H,11H2
InChIKeyPDUNSERIYYKNDK-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
CID 118607729
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
CID 7333463
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601
N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
CID 123679998
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
CID 120724398
4-(bromomethyl)-N-(2-phenylcyclopropyl)benzenesulfonamide
CID 65480037
N-[(3R,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178191044
N-[(3S,4R)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 165494148
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide (CID 123352149) is N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide is O=S(=O)(NC1CC1c1ccc(F)c(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide?
The InChIKey is PDUNSERIYYKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-17-8-6-14(10-18(17)21)16-11-19(16)22-25(23,24)15-7-5-12-3-1-2-4-13(12)9-15/h1-10,16,19,22H,11H2.
What are the key properties of N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide?
N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide has a molecular weight of 359.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 123352149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).