N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

C14H21FN2O4S — CID 119981715

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C14H21FN2O4S/c1-14(8-16,9-4-5-9)17-22(18,19)13-7-12(21-3)11(20-2)6-10(13)15/h6-7,9,17H,4-5,8,16H2,1-3H3
InChIKeyZBIKULCNTMFPAR-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.25
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (PubChem CID 119981715) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
PubChem CID119981715
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C14H21FN2O4S/c1-14(8-16,9-4-5-9)17-22(18,19)13-7-12(21-3)11(20-2)6-10(13)15/h6-7,9,17H,4-5,8,16H2,1-3H3
InChIKeyZBIKULCNTMFPAR-UHFFFAOYSA-N
XLogP1.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
CID 119981749
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119575169
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839
N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 115308001
N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
CID 97325646

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (CID 119981715) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)NC(C)(CN)C2CC2)cc1OC.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The InChIKey is ZBIKULCNTMFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-14(8-16,9-4-5-9)17-22(18,19)13-7-12(21-3)11(20-2)6-10(13)15/h6-7,9,17H,4-5,8,16H2,1-3H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 119981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).