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

C15H20ClNO3S2 — CID 58713277

IUPAC5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H20ClNO3S2/c1-4-7-17(9-10(2)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
InChIKeyNDCFAHGEERSNPL-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.64
Rot. Bonds6

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

5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 58713277) has the molecular formula C15H20ClNO3S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID58713277
Molecular FormulaC15H20ClNO3S2
Molecular Weight361.92 g/mol
Exact Mass361.06
IUPAC Name5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H20ClNO3S2/c1-4-7-17(9-10(2)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
InChIKeyNDCFAHGEERSNPL-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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Related Compounds

N-(2-bromobutyl)-5-chloro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713396
N-[(2S)-2-hydroxypropyl]-3-methyl-N-propyl-5-(trifluoromethyl)-1-benzothiophene-2-sulfonamide
CID 58713403
3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide
CID 141094629
ethyl 2-[4-[(2R)-1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propan-2-yl]sulfanyl-2-methylphenoxy]acetate
CID 58713207
3-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propan-2-yloxy]-2-methoxyphenyl]propanoic acid
CID 58713040
N-(1-bromobutan-2-yl)-5-chloro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713165
N-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-sulfonamide
CID 68743674
2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]phenoxy]acetic acid
CID 58713312
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide
CID 86608155
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391
2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-(1,1-difluoroethyl)phenoxy]acetic acid
CID 162579901

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (CID 58713277) is 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is CCCN(CC(C)O)S(=O)(=O)c1sc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is NDCFAHGEERSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S2/c1-4-7-17(9-10(2)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-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
5-chloro-N-(2-hydroxypropyl)-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-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 58713277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).