4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide

C11H18ClN3O3S — CID 106150690

IUPAC4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H18ClN3O3S/c1-15-10(9(12)7-13-15)19(17,18)14-8-11(16)5-3-2-4-6-11/h7,14,16H,2-6,8H2,1H3
InChIKeyHTEKMPZKORMUBJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.05
Rot. Bonds4

About 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106150690) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
PubChem CID106150690
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H18ClN3O3S/c1-15-10(9(12)7-13-15)19(17,18)14-8-11(16)5-3-2-4-6-11/h7,14,16H,2-6,8H2,1H3
InChIKeyHTEKMPZKORMUBJ-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide (CID 106150690) is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is HTEKMPZKORMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-15-10(9(12)7-13-15)19(17,18)14-8-11(16)5-3-2-4-6-11/h7,14,16H,2-6,8H2,1H3.
What are the key properties of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).