trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

C18H19BrN2O3S — CID 26850175

IUPACtrans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3S/c1-11-3-6-15(20-18(22)16-9-12(16)2)10-17(11)25(23,24)21-14-7-4-13(19)5-8-14/h3-8,10,12,16,21H,9H2,1-2H3,(H,20,22)/t12-,16-/m0/s1
InChIKeyWPIDDPBOKCDXEN-LRDDRELGSA-N
MW423.33 g/mol
LogP4.15
Rot. Bonds5

About trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 26850175) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID26850175
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Nametrans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3S/c1-11-3-6-15(20-18(22)16-9-12(16)2)10-17(11)25(23,24)21-14-7-4-13(19)5-8-14/h3-8,10,12,16,21H,9H2,1-2H3,(H,20,22)/t12-,16-/m0/s1
InChIKeyWPIDDPBOKCDXEN-LRDDRELGSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25342315
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
trans-(1S,2S)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-nitrocyclopropane-1-carboxamide
CID 51959130
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (CID 26850175) is trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WPIDDPBOKCDXEN-LRDDRELGSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-11-3-6-15(20-18(22)16-9-12(16)2)10-17(11)25(23,24)21-14-7-4-13(19)5-8-14/h3-8,10,12,16,21H,9H2,1-2H3,(H,20,22)/t12-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 26850175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).