cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid

C19H20N2O5S — CID 120674975

IUPACcis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(20-15-10-9-14(12-15)19(23)24)13-5-4-6-16(11-13)21-27(25,26)17-7-2-1-3-8-17/h1-8,11,14-15,21H,9-10,12H2,(H,20,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyMCASHHLTJUYVPW-LSDHHAIUSA-N
MW388.45 g/mol
LogP2.47
Rot. Bonds6

About cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120674975) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120674975
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namecis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(20-15-10-9-14(12-15)19(23)24)13-5-4-6-16(11-13)21-27(25,26)17-7-2-1-3-8-17/h1-8,11,14-15,21H,9-10,12H2,(H,20,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyMCASHHLTJUYVPW-LSDHHAIUSA-N
XLogP2.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126783508
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120674975) is cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MCASHHLTJUYVPW-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(20-15-10-9-14(12-15)19(23)24)13-5-4-6-16(11-13)21-27(25,26)17-7-2-1-3-8-17/h1-8,11,14-15,21H,9-10,12H2,(H,20,22)(H,23,24)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 388.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).