5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

C15H20ClNO3S2 — CID 58713216

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(C(C)CO)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H20ClNO3S2/c1-4-7-17(10(2)9-18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyHCPCBXWIHFODOU-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.64
Rot. Bonds6

About 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 58713216) has the molecular formula C15H20ClNO3S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID58713216
Molecular FormulaC15H20ClNO3S2
Molecular Weight361.92 g/mol
Exact Mass361.06
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(C(C)CO)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H20ClNO3S2/c1-4-7-17(10(2)9-18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyHCPCBXWIHFODOU-UHFFFAOYSA-N
XLogP3.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (CID 58713216) is 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is CCCN(C(C)CO)S(=O)(=O)c1sc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is HCPCBXWIHFODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S2/c1-4-7-17(10(2)9-18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3.
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide has a molecular weight of 361.92 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 58713216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).