2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide

C9H13ClN2O2S2 — CID 43455970

IUPAC2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S2/c10-9-11-6-8(15-9)16(13,14)12-5-7-3-1-2-4-7/h6-7,12H,1-5H2
InChIKeyVXVCIQUBCFBFRT-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.27
Rot. Bonds4

About 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455970) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455970
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S2/c10-9-11-6-8(15-9)16(13,14)12-5-7-3-1-2-4-7/h6-7,12H,1-5H2
InChIKeyVXVCIQUBCFBFRT-UHFFFAOYSA-N
XLogP2.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide (CID 43455970) is 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC1CCCC1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VXVCIQUBCFBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c10-9-11-6-8(15-9)16(13,14)12-5-7-3-1-2-4-7/h6-7,12H,1-5H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 280.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).