N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide

C19H19NO2S — CID 162354184

IUPACN-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
SMILESC#CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C19H19NO2S/c1-2-3-15-6-8-17(9-7-15)18-10-12-19(13-11-18)23(21,22)20-14-16-4-5-16/h1,6-13,16,20H,3-5,14H2
InChIKeyAXSFXSVNEUYLSN-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.22
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide (PubChem CID 162354184) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
PubChem CID162354184
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
SMILESC#CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C19H19NO2S/c1-2-3-15-6-8-17(9-7-15)18-10-12-19(13-11-18)23(21,22)20-14-16-4-5-16/h1,6-13,16,20H,3-5,14H2
InChIKeyAXSFXSVNEUYLSN-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354165
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-(bromomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481629

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide (CID 162354184) is N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide is C#CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The InChIKey is AXSFXSVNEUYLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-2-3-15-6-8-17(9-7-15)18-10-12-19(13-11-18)23(21,22)20-14-16-4-5-16/h1,6-13,16,20H,3-5,14H2.
What are the key properties of N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide is sourced from PubChem (CID 162354184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).