N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C14H16ClN3O5S3 — CID 10181593

IUPACN-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNS(=O)(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O5S3/c15-13-7-6-11(24-13)10-25(20,21)18-17-14(19)8-9-16-26(22,23)12-4-2-1-3-5-12/h1-7,16,18H,8-10H2,(H,17,19)
InChIKeyOVHQIDLUCSGEGU-UHFFFAOYSA-N
MW437.95 g/mol
LogP1.22
Rot. Bonds9

About N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 10181593) has the molecular formula C14H16ClN3O5S3 and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID10181593
Molecular FormulaC14H16ClN3O5S3
Molecular Weight437.95 g/mol
Exact Mass436.99
IUPAC NameN-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNS(=O)(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O5S3/c15-13-7-6-11(24-13)10-25(20,21)18-17-14(19)8-9-16-26(22,23)12-4-2-1-3-5-12/h1-7,16,18H,8-10H2,(H,17,19)
InChIKeyOVHQIDLUCSGEGU-UHFFFAOYSA-N
XLogP1.22
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 2819949
N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
CID 2820374
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
CID 8372467
2-(2,5-dichlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide
CID 8481789
2-(4-chlorophenyl)sulfanyl-N'-thiophen-2-ylsulfonylacetohydrazide
CID 8616307
4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 9479099
N-[3-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 16373541
N-[3-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide
CID 16386903
N-[3-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-sulfonamide
CID 36855708
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
CID 46653294

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 10181593) is N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)NNS(=O)(=O)Cc1ccc(Cl)s1.
What is the InChIKey of N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is OVHQIDLUCSGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O5S3/c15-13-7-6-11(24-13)10-25(20,21)18-17-14(19)8-9-16-26(22,23)12-4-2-1-3-5-12/h1-7,16,18H,8-10H2,(H,17,19).
What are the key properties of N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 10181593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).