N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

C15H13BrCl2N2O3S2 — CID 55866989

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O3S2/c16-8-3-10(24-7-8)6-19-15(21)11-4-14(13(18)5-12(11)17)25(22,23)20-9-1-2-9/h3-5,7,9,20H,1-2,6H2,(H,19,21)
InChIKeyWGIGXGRLJRVWPV-UHFFFAOYSA-N
MW484.22 g/mol
LogP4.19
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 55866989) has the molecular formula C15H13BrCl2N2O3S2 and a molecular weight of 484.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
PubChem CID55866989
Molecular FormulaC15H13BrCl2N2O3S2
Molecular Weight484.22 g/mol
Exact Mass481.89
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O3S2/c16-8-3-10(24-7-8)6-19-15(21)11-4-14(13(18)5-12(11)17)25(22,23)20-9-1-2-9/h3-5,7,9,20H,1-2,6H2,(H,19,21)
InChIKeyWGIGXGRLJRVWPV-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide with MolForge

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33312013
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
CID 24680795
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2,4-dichloro-5-(2-methylpropylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78785955
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 24598768
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393058

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (CID 55866989) is N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is O=C(NCc1cc(Br)cs1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is WGIGXGRLJRVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3S2/c16-8-3-10(24-7-8)6-19-15(21)11-4-14(13(18)5-12(11)17)25(22,23)20-9-1-2-9/h3-5,7,9,20H,1-2,6H2,(H,19,21).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 484.22 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55866989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).