4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide

C9H9Cl2N5O3S2 — CID 55924031

IUPAC4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5O3S2/c1-16-5(3-4(10)6(16)11)7(17)12-8-13-14-9(20-8)15-21(2,18)19/h3H,1-2H3,(H,14,15)(H,12,13,17)
InChIKeyCIBDAANWGVHSHC-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.81
Rot. Bonds4

About 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 55924031) has the molecular formula C9H9Cl2N5O3S2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID55924031
Molecular FormulaC9H9Cl2N5O3S2
Molecular Weight370.24 g/mol
Exact Mass368.95
IUPAC Name4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5O3S2/c1-16-5(3-4(10)6(16)11)7(17)12-8-13-14-9(20-8)15-21(2,18)19/h3H,1-2H3,(H,14,15)(H,12,13,17)
InChIKeyCIBDAANWGVHSHC-UHFFFAOYSA-N
XLogP1.81
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 55979286
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 55979400
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
CID 55978138
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357342
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 112697051
4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55600497
4-cyclohexyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 60547173
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 52725730
ethyl 5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 55600880

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide (CID 55924031) is 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CIBDAANWGVHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5O3S2/c1-16-5(3-4(10)6(16)11)7(17)12-8-13-14-9(20-8)15-21(2,18)19/h3H,1-2H3,(H,14,15)(H,12,13,17).
What are the key properties of 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55924031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).