N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide

C14H14ClNO3S2 — CID 100549879

IUPACN-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO3S2/c1-3-8-16(21(17,18)14-5-4-9-20-14)11-6-7-13(19-2)12(15)10-11/h3-7,9-10H,1,8H2,2H3
InChIKeyHKHLPSQQSTWNMF-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.79
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide

N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 100549879) has the molecular formula C14H14ClNO3S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID100549879
Molecular FormulaC14H14ClNO3S2
Molecular Weight343.86 g/mol
Exact Mass343.01
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO3S2/c1-3-8-16(21(17,18)14-5-4-9-20-14)11-6-7-13(19-2)12(15)10-11/h3-7,9-10H,1,8H2,2H3
InChIKeyHKHLPSQQSTWNMF-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100513141
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100552462
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide (CID 100549879) is N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is HKHLPSQQSTWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S2/c1-3-8-16(21(17,18)14-5-4-9-20-14)11-6-7-13(19-2)12(15)10-11/h3-7,9-10H,1,8H2,2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 343.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 100549879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).