N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide

C15H22FN3O3S — CID 146042229

IUPACN-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N(C)C)C2)c(F)c1
InChIInChI=1S/C15H22FN3O3S/c1-10-4-7-13(14(16)8-10)15(20)17-11-5-6-12(9-11)18-23(21,22)19(2)3/h4,7-8,11-12,18H,5-6,9H2,1-3H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyPPXUPZCZRLWIGA-NWDGAFQWSA-N
MW343.42 g/mol
LogP1.18
Rot. Bonds5

About N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide

N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide (PubChem CID 146042229) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide
PubChem CID146042229
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N(C)C)C2)c(F)c1
InChIInChI=1S/C15H22FN3O3S/c1-10-4-7-13(14(16)8-10)15(20)17-11-5-6-12(9-11)18-23(21,22)19(2)3/h4,7-8,11-12,18H,5-6,9H2,1-3H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyPPXUPZCZRLWIGA-NWDGAFQWSA-N
XLogP1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
CID 79796109
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
N-cyclopropyl-2-fluoro-4-methylbenzamide;bis(2-fluoro-N,4-dimethylbenzamide);2-fluoro-N,4-dimethylbenzenesulfonamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 160550835
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
CID 84586316

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide (CID 146042229) is N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N(C)C)C2)c(F)c1.
What is the InChIKey of N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide?
The InChIKey is PPXUPZCZRLWIGA-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-10-4-7-13(14(16)8-10)15(20)17-11-5-6-12(9-11)18-23(21,22)19(2)3/h4,7-8,11-12,18H,5-6,9H2,1-3H3,(H,17,20)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide?
N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide has a molecular weight of 343.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 146042229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).