N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide

C18H17ClN2O4S2 — CID 167900637

IUPACN-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCS3)cc1Cl
InChIInChI=1S/C18H17ClN2O4S2/c1-11(22)20-16-6-5-14(10-15(16)19)27(24,25)21-18(23)13-4-7-17-12(9-13)3-2-8-26-17/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyMSLXDXGFHKFPQE-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.46
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide

N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide (PubChem CID 167900637) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide
PubChem CID167900637
Molecular FormulaC18H17ClN2O4S2
Molecular Weight424.93 g/mol
Exact Mass424.03
IUPAC NameN-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCS3)cc1Cl
InChIInChI=1S/C18H17ClN2O4S2/c1-11(22)20-16-6-5-14(10-15(16)19)27(24,25)21-18(23)13-4-7-17-12(9-13)3-2-8-26-17/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyMSLXDXGFHKFPQE-UHFFFAOYSA-N
XLogP3.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
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N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
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1-piperazin-1-ylethanone;N-(4-sulfanylphenyl)-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 162521599
N-[2-chloro-4-[(3,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25043861
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide (CID 167900637) is N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCS3)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide?
The InChIKey is MSLXDXGFHKFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-11(22)20-16-6-5-14(10-15(16)19)27(24,25)21-18(23)13-4-7-17-12(9-13)3-2-8-26-17/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide?
N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)sulfonyl-3,4-dihydro-2H-thiochromene-6-carboxamide is sourced from PubChem (CID 167900637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).