N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

C16H21ClN4O3S — CID 55975541

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H21ClN4O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)7-8-18-25(23,24)12-6-4-5-11(17)9-12/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)
InChIKeyAOBJDRFLSQBVAZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.67
Rot. Bonds6

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55975541) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID55975541
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H21ClN4O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)7-8-18-25(23,24)12-6-4-5-11(17)9-12/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)
InChIKeyAOBJDRFLSQBVAZ-UHFFFAOYSA-N
XLogP2.67
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637009
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
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3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 46559131
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56519883
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 46667855
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 55975541) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is CC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is AOBJDRFLSQBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)7-8-18-25(23,24)12-6-4-5-11(17)9-12/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 384.89 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55975541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).