N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide

C13H15NO2S — CID 80965589

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-2-10-14(11-12-8-9-12)17(15,16)13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChIKeyUBDOMTPOIZCUNZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.72
Rot. Bonds5

About N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide

N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide (PubChem CID 80965589) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
PubChem CID80965589
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-2-10-14(11-12-8-9-12)17(15,16)13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChIKeyUBDOMTPOIZCUNZ-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
CID 47808296
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383275
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
CID 106150787
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide (CID 80965589) is N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is UBDOMTPOIZCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-10-14(11-12-8-9-12)17(15,16)13-6-4-3-5-7-13/h1,3-7,12H,8-11H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide?
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 249.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 80965589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).