N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide

C18H16N2O4S — CID 47568459

IUPACN-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C18H16N2O4S/c19-11-13-3-9-17(10-4-13)25(22,23)20-18(21)15-5-7-16(8-6-15)24-12-14-1-2-14/h3-10,14H,1-2,12H2,(H,20,21)
InChIKeyXWNLPWVPOYYVKY-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.47
Rot. Bonds6

About N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide

N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide (PubChem CID 47568459) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide
PubChem CID47568459
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C18H16N2O4S/c19-11-13-3-9-17(10-4-13)25(22,23)20-18(21)15-5-7-16(8-6-15)24-12-14-1-2-14/h3-10,14H,1-2,12H2,(H,20,21)
InChIKeyXWNLPWVPOYYVKY-UHFFFAOYSA-N
XLogP2.47
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-cyano-N-methylsulfonylbenzamide
CID 47232721
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
CID 146146375

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide (CID 47568459) is N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide?
The InChIKey is XWNLPWVPOYYVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c19-11-13-3-9-17(10-4-13)25(22,23)20-18(21)15-5-7-16(8-6-15)24-12-14-1-2-14/h3-10,14H,1-2,12H2,(H,20,21).
What are the key properties of N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide?
N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 47568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).