N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C16H19ClN4O3S — CID 122175119

IUPACN-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C16H19ClN4O3S/c1-11-2-3-13(17)8-14(11)20-16(22)12-4-6-21(7-5-12)25(23,24)15-9-18-10-19-15/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,22)
InChIKeyKDHHWRVDVDVUTI-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.41
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 122175119) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID122175119
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C16H19ClN4O3S/c1-11-2-3-13(17)8-14(11)20-16(22)12-4-6-21(7-5-12)25(23,24)15-9-18-10-19-15/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,22)
InChIKeyKDHHWRVDVDVUTI-UHFFFAOYSA-N
XLogP2.41
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 122175119) is N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is KDHHWRVDVDVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-11-2-3-13(17)8-14(11)20-16(22)12-4-6-21(7-5-12)25(23,24)15-9-18-10-19-15/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 122175119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).