4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide

C13H14N2O4S2 — CID 106909778

IUPAC4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C13H14N2O4S2/c14-10-7-12(20-8-10)21(16,17)15-11-3-1-9(2-4-11)13-18-5-6-19-13/h1-4,7-8,13,15H,5-6,14H2
InChIKeyIMLLMICCJRGUTQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide

4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 106909778) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID106909778
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C13H14N2O4S2/c14-10-7-12(20-8-10)21(16,17)15-11-3-1-9(2-4-11)13-18-5-6-19-13/h1-4,7-8,13,15H,5-6,14H2
InChIKeyIMLLMICCJRGUTQ-UHFFFAOYSA-N
XLogP2.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
4-amino-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 61300548
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
CID 61299815
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388
4-amino-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 61298988
4-amino-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55118253

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide (CID 106909778) is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)Nc2ccc(C3OCCO3)cc2)c1.
What is the InChIKey of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is IMLLMICCJRGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-10-7-12(20-8-10)21(16,17)15-11-3-1-9(2-4-11)13-18-5-6-19-13/h1-4,7-8,13,15H,5-6,14H2.
What are the key properties of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide?
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106909778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).