2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide

C10H15ClN2O3S2 — CID 62522279

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-8(17-9(11)12-7)18(15,16)13-10(6-14)4-2-3-5-10/h13-14H,2-6H2,1H3
InChIKeyCJTCQEPXMHJKBR-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.69
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 62522279) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID62522279
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-8(17-9(11)12-7)18(15,16)13-10(6-14)4-2-3-5-10/h13-14H,2-6H2,1H3
InChIKeyCJTCQEPXMHJKBR-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 62522279) is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1(CO)CCCC1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CJTCQEPXMHJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-7-8(17-9(11)12-7)18(15,16)13-10(6-14)4-2-3-5-10/h13-14H,2-6H2,1H3.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 310.83 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62522279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).