N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide

C14H16FNO2S — CID 115556481

IUPACN-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H16FNO2S/c1-3-8-16(10-12-5-6-12)19(17,18)14-9-13(15)7-4-11(14)2/h1,4,7,9,12H,5-6,8,10H2,2H3
InChIKeyDQPYPWSMPVZMAO-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.17
Rot. Bonds5

About N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide

N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 115556481) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID115556481
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC NameN-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H16FNO2S/c1-3-8-16(10-12-5-6-12)19(17,18)14-9-13(15)7-4-11(14)2/h1,4,7,9,12H,5-6,8,10H2,2H3
InChIKeyDQPYPWSMPVZMAO-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide
CID 167964826
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
methyl 2-[cyclopropylmethyl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919539

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide (CID 115556481) is N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is DQPYPWSMPVZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-3-8-16(10-12-5-6-12)19(17,18)14-9-13(15)7-4-11(14)2/h1,4,7,9,12H,5-6,8,10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide?
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 281.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 115556481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).