N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H15ClN2O3S — CID 155946905

IUPACN-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c19-17-10-16(8-7-15(17)11-20)25(23,24)21-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4H2,(H,21,22)
InChIKeyGRMGBLOKNLMQMN-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.21
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 155946905) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID155946905
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c19-17-10-16(8-7-15(17)11-20)25(23,24)21-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4H2,(H,21,22)
InChIKeyGRMGBLOKNLMQMN-UHFFFAOYSA-N
XLogP3.21
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 146125461
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
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2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 167900637
(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
CID 96563455
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
N-(3-chloro-4-cyanophenyl)sulfonyl-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 166197839
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 155946905) is N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GRMGBLOKNLMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-17-10-16(8-7-15(17)11-20)25(23,24)21-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4H2,(H,21,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 155946905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).