N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide

C10H13N5O4S2 — CID 80731051

IUPACN-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NC)s2)cn1
InChIInChI=1S/C10H13N5O4S2/c1-3-14-6-7(5-12-14)13-21(18,19)9-4-8(15(16)17)10(11-2)20-9/h4-6,11,13H,3H2,1-2H3
InChIKeyUYBYTCXASNRFQY-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.72
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide

N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide (PubChem CID 80731051) has the molecular formula C10H13N5O4S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide
PubChem CID80731051
Molecular FormulaC10H13N5O4S2
Molecular Weight331.38 g/mol
Exact Mass331.04
IUPAC NameN-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NC)s2)cn1
InChIInChI=1S/C10H13N5O4S2/c1-3-14-6-7(5-12-14)13-21(18,19)9-4-8(15(16)17)10(11-2)20-9/h4-6,11,13H,3H2,1-2H3
InChIKeyUYBYTCXASNRFQY-UHFFFAOYSA-N
XLogP1.72
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(5-methylsulfonyl-3-nitrothiophen-2-yl)pyrazol-4-amine
CID 75502353
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
CID 80746992
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80727859
5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80747707
5-(ethylamino)-4-nitro-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 80747085
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide (CID 80731051) is N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide is CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NC)s2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The InChIKey is UYBYTCXASNRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S2/c1-3-14-6-7(5-12-14)13-21(18,19)9-4-8(15(16)17)10(11-2)20-9/h4-6,11,13H,3H2,1-2H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80731051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).