N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide

C7H11ClN2O2S2 — CID 43455776

IUPACN-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2O2S2/c1-3-5(2)10-14(11,12)6-4-9-7(8)13-6/h4-5,10H,3H2,1-2H3
InChIKeyRSQHPHOPCBVLTC-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.87
Rot. Bonds4

About N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide

N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 43455776) has the molecular formula C7H11ClN2O2S2 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID43455776
Molecular FormulaC7H11ClN2O2S2
Molecular Weight254.76 g/mol
Exact Mass254.00
IUPAC NameN-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2O2S2/c1-3-5(2)10-14(11,12)6-4-9-7(8)13-6/h4-5,10H,3H2,1-2H3
InChIKeyRSQHPHOPCBVLTC-UHFFFAOYSA-N
XLogP1.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide (CID 43455776) is N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide is CCC(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is RSQHPHOPCBVLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S2/c1-3-5(2)10-14(11,12)6-4-9-7(8)13-6/h4-5,10H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide?
N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 254.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).