molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide

C10H17NO2S — CID 171098076

IUPACmolecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cccc(NS(C)(=O)=O)c1.[H][H]
InChIInChI=1S/C10H15NO2S.H2/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;/h4-8,11H,1-3H3;1H
InChIKeyRTZXNVIJUZUHKS-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.43
Rot. Bonds3

About molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide

molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide (PubChem CID 171098076) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
PubChem CID171098076
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namemolecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cccc(NS(C)(=O)=O)c1.[H][H]
InChIInChI=1S/C10H15NO2S.H2/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;/h4-8,11H,1-3H3;1H
InChIKeyRTZXNVIJUZUHKS-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 60532632
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737
N-(2-methylsulfonylethyl)-3-propan-2-ylaniline
CID 60719750
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
1-propan-2-yl-3-(sulfinatoamino)benzene
CID 154626762

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide (CID 171098076) is molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide is CC(C)c1cccc(NS(C)(=O)=O)c1.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is RTZXNVIJUZUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.H2/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;/h4-8,11H,1-3H3;1H.
What are the key properties of molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide?
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 215.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 171098076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).