N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide

C12H16N2O3S — CID 47134978

IUPACN-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-3-2-4-11(7-9)14-12(15)10-5-6-10/h2-4,7,10,13H,5-6,8H2,1H3,(H,14,15)
InChIKeySKSRECWHWNKOTR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.08
Rot. Bonds5

About N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide

N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide (PubChem CID 47134978) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
PubChem CID47134978
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-3-2-4-11(7-9)14-12(15)10-5-6-10/h2-4,7,10,13H,5-6,8H2,1H3,(H,14,15)
InChIKeySKSRECWHWNKOTR-UHFFFAOYSA-N
XLogP1.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24581040
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide (CID 47134978) is N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide is CS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is SKSRECWHWNKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-3-2-4-11(7-9)14-12(15)10-5-6-10/h2-4,7,10,13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide?
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47134978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).