N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide

C12H19NO3S — CID 175307812

IUPACN-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1c(C)cc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO3S/c1-5-6-16-12-9(2)7-11(8-10(12)3)13-17(4,14)15/h7-8,13H,5-6H2,1-4H3
InChIKeyHTESPSNFBNQXFH-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.46
Rot. Bonds5

About N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide

N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide (PubChem CID 175307812) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
PubChem CID175307812
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1c(C)cc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO3S/c1-5-6-16-12-9(2)7-11(8-10(12)3)13-17(4,14)15/h7-8,13H,5-6H2,1-4H3
InChIKeyHTESPSNFBNQXFH-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58960364
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
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CID 90702699
1,3-dimethyl-2-propoxybenzene
CID 579040
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
1-(3,5-dimethyl-4-propoxyphenyl)ethanol
CID 91657661
N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936905
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
CID 12790647
4-heptoxy-3,5-dimethylbenzenesulfonic acid
CID 87685895
4-heptadecoxy-3,5-dimethylbenzenesulfonic acid
CID 87685149
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CID 59772894

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide (CID 175307812) is N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide is CCCOc1c(C)cc(NS(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide?
The InChIKey is HTESPSNFBNQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-5-6-16-12-9(2)7-11(8-10(12)3)13-17(4,14)15/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide?
N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide is sourced from PubChem (CID 175307812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).