N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide

C13H17NO3S — CID 172557272

IUPACN-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(CC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-3-18(15,16)14(10-11-4-5-11)12-6-8-13(17-2)9-7-12/h3,6-9,11H,1,4-5,10H2,2H3
InChIKeyPCMSJHWFXJWUMK-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.38
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide

N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide (PubChem CID 172557272) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide
PubChem CID172557272
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(CC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-3-18(15,16)14(10-11-4-5-11)12-6-8-13(17-2)9-7-12/h3,6-9,11H,1,4-5,10H2,2H3
InChIKeyPCMSJHWFXJWUMK-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide (CID 172557272) is N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide is C=CS(=O)(=O)N(CC1CC1)c1ccc(OC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The InChIKey is PCMSJHWFXJWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-18(15,16)14(10-11-4-5-11)12-6-8-13(17-2)9-7-12/h3,6-9,11H,1,4-5,10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide?
N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 172557272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).