N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide

C14H14ClNO5S2 — CID 71804352

IUPACN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO5S2/c15-13-3-4-14(22-13)23(18,19)16-6-5-10(17)9-1-2-11-12(7-9)21-8-20-11/h1-4,7,10,16-17H,5-6,8H2
InChIKeyVIZIDOZPVWSZNO-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide

N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 71804352) has the molecular formula C14H14ClNO5S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
PubChem CID71804352
Molecular FormulaC14H14ClNO5S2
Molecular Weight375.86 g/mol
Exact Mass375.00
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO5S2/c15-13-3-4-14(22-13)23(18,19)16-6-5-10(17)9-1-2-11-12(7-9)21-8-20-11/h1-4,7,10,16-17H,5-6,8H2
InChIKeyVIZIDOZPVWSZNO-UHFFFAOYSA-N
XLogP2.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 97042808
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 71804346
N-[(3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-methylbenzenesulfonamide
CID 97042809
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806437
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
CID 97414328
N'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121132637
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
5-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 90558055

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide (CID 71804352) is N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCCC(O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is VIZIDOZPVWSZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5S2/c15-13-3-4-14(22-13)23(18,19)16-6-5-10(17)9-1-2-11-12(7-9)21-8-20-11/h1-4,7,10,16-17H,5-6,8H2.
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 375.86 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 71804352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).