N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide

C15H19ClN2O2S2 — CID 110428303

IUPACN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H19ClN2O2S2/c1-3-4-9-22(19,20)18-15-17-11(2)14(21-15)10-12-5-7-13(16)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyMQSRTEMHFVXACD-UHFFFAOYSA-N
MW358.92 g/mol
LogP4.24
Rot. Bonds7

About N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide

N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide (PubChem CID 110428303) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
PubChem CID110428303
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H19ClN2O2S2/c1-3-4-9-22(19,20)18-15-17-11(2)14(21-15)10-12-5-7-13(16)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyMQSRTEMHFVXACD-UHFFFAOYSA-N
XLogP4.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide (CID 110428303) is N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The InChIKey is MQSRTEMHFVXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-3-4-9-22(19,20)18-15-17-11(2)14(21-15)10-12-5-7-13(16)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide has a molecular weight of 358.92 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 110428303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).