N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide

C15H19NO2S — CID 113334751

IUPACN-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H19NO2S/c1-4-9-16(11-14-6-7-14)19(17,18)15-8-5-12(2)10-13(15)3/h1,5,8,10,14H,6-7,9,11H2,2-3H3
InChIKeyLLKREUQXORNYEM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.34
Rot. Bonds5

About N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide

N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 113334751) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID113334751
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H19NO2S/c1-4-9-16(11-14-6-7-14)19(17,18)15-8-5-12(2)10-13(15)3/h1,5,8,10,14H,6-7,9,11H2,2-3H3
InChIKeyLLKREUQXORNYEM-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.34
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

N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
2-[(2,4-dimethylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274786
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide (CID 113334751) is N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is LLKREUQXORNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-9-16(11-14-6-7-14)19(17,18)15-8-5-12(2)10-13(15)3/h1,5,8,10,14H,6-7,9,11H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide?
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 277.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 113334751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).