4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C24H26ClN3O4S — CID 118260381

IUPAC4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccc(Cl)cc4)c1)C(C3)C2
InChIInChI=1S/C24H26ClN3O4S/c25-18-4-6-20(7-5-18)33(31,32)28-19-3-1-2-15(10-19)22(29)27-21-16-8-14-9-17(21)13-24(11-14,12-16)23(26)30/h1-7,10,14,16-17,21,28H,8-9,11-13H2,(H2,26,30)(H,27,29)
InChIKeyPTKOGQRLIYNCFQ-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.55
Rot. Bonds6

About 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118260381) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118260381
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccc(Cl)cc4)c1)C(C3)C2
InChIInChI=1S/C24H26ClN3O4S/c25-18-4-6-20(7-5-18)33(31,32)28-19-3-1-2-15(10-19)22(29)27-21-16-8-14-9-17(21)13-24(11-14,12-16)23(26)30/h1-7,10,14,16-17,21,28H,8-9,11-13H2,(H2,26,30)(H,27,29)
InChIKeyPTKOGQRLIYNCFQ-UHFFFAOYSA-N
XLogP3.55
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260382
4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260375
4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118035168
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
N-(5-carbamoyl-2-adamantyl)-3-[(3-chloro-2-fluorophenyl)sulfonylamino]benzenecarboximidate
CID 131635818
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118049692
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
CID 118049701
N-(5-carbamoyl-2-adamantyl)-5-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 71089637
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118260381) is 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccc(Cl)cc4)c1)C(C3)C2.
What is the InChIKey of 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is PTKOGQRLIYNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c25-18-4-6-20(7-5-18)33(31,32)28-19-3-1-2-15(10-19)22(29)27-21-16-8-14-9-17(21)13-24(11-14,12-16)23(26)30/h1-7,10,14,16-17,21,28H,8-9,11-13H2,(H2,26,30)(H,27,29).
What are the key properties of 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118260381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).